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improved sanity checks, mainly for RGC

This commit is contained in:
Martin Diehl 2013-12-20 08:36:15 +00:00
parent af075aaa9d
commit d595f59f0e
4 changed files with 32 additions and 44 deletions
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46
code/constitutive_j2.f90
View File

@ -151,8 +151,8 @@ subroutine constitutive_j2_init(fileUnit)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
allocate(constitutive_j2_sizeDotState(maxNinstance), source=0_pInt) allocate(constitutive_j2_sizeDotState(maxNinstance), source=1_pInt)
allocate(constitutive_j2_sizeState(maxNinstance), source=0_pInt) allocate(constitutive_j2_sizeState(maxNinstance), source=1_pInt)
allocate(constitutive_j2_sizePostResults(maxNinstance), source=0_pInt) allocate(constitutive_j2_sizePostResults(maxNinstance), source=0_pInt)
allocate(constitutive_j2_sizePostResult(maxval(phase_Noutput), maxNinstance),source=0_pInt) allocate(constitutive_j2_sizePostResult(maxval(phase_Noutput), maxNinstance),source=0_pInt)
allocate(constitutive_j2_output(maxval(phase_Noutput), maxNinstance)) allocate(constitutive_j2_output(maxval(phase_Noutput), maxNinstance))
@ -198,7 +198,6 @@ subroutine constitutive_j2_init(fileUnit)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity','elasticity') case ('plasticity','elasticity')
cycle
case ('(output)') case ('(output)')
constitutive_j2_Noutput(i) = constitutive_j2_Noutput(i) + 1_pInt constitutive_j2_Noutput(i) = constitutive_j2_Noutput(i) + 1_pInt
constitutive_j2_output(constitutive_j2_Noutput(i),i) = & constitutive_j2_output(constitutive_j2_Noutput(i),i) = &
@ -245,16 +244,24 @@ subroutine constitutive_j2_init(fileUnit)
constitutive_j2_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt)
case ('tau0') case ('tau0')
constitutive_j2_tau0(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_tau0(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_tau0(i) < 0.0_pReal) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
case ('gdot0') case ('gdot0')
constitutive_j2_gdot0(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_gdot0(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_gdot0(i) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
case ('n') case ('n')
constitutive_j2_n(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_n(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_n(i) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
case ('h0') case ('h0')
constitutive_j2_h0(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_h0(i) = IO_floatValue(line,positions,2_pInt)
case ('h0_slope','slopelnrate') case ('h0_slope','slopelnrate')
constitutive_j2_h0_slopeLnRate(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_h0_slopeLnRate(i) = IO_floatValue(line,positions,2_pInt)
case ('tausat') case ('tausat')
constitutive_j2_tausat(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_tausat(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_tausat(i) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
case ('tausat_sinhfita') case ('tausat_sinhfita')
constitutive_j2_tausat_SinhFitA(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_tausat_SinhFitA(i) = IO_floatValue(line,positions,2_pInt)
case ('tausat_sinhfitb') case ('tausat_sinhfitb')
@ -265,10 +272,16 @@ subroutine constitutive_j2_init(fileUnit)
constitutive_j2_tausat_SinhFitD(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_tausat_SinhFitD(i) = IO_floatValue(line,positions,2_pInt)
case ('a', 'w0') case ('a', 'w0')
constitutive_j2_a(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_a(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_a(i) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
case ('taylorfactor') case ('taylorfactor')
constitutive_j2_fTaylor(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_fTaylor(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_fTaylor(i) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
case ('atol_resistance') case ('atol_resistance')
constitutive_j2_aTolResistance(i) = IO_floatValue(line,positions,2_pInt) constitutive_j2_aTolResistance(i) = IO_floatValue(line,positions,2_pInt)
if (constitutive_j2_aTolResistance(i) <= 0.0_pReal) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
case default case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//PLASTICITY_J2_label//')')
end select end select
@ -276,23 +289,6 @@ subroutine constitutive_j2_init(fileUnit)
endif endif
enddo enddo
sanityChecks: do i = 1_pInt,maxNinstance
if (constitutive_j2_tau0(i) < 0.0_pReal) call IO_error(211_pInt,ext_msg='tau0 (' &
//PLASTICITY_J2_label//')')
if (constitutive_j2_gdot0(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='gdot0 (' &
//PLASTICITY_J2_label//')')
if (constitutive_j2_n(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='n (' &
//PLASTICITY_J2_label//')')
if (constitutive_j2_tausat(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='tausat (' &
//PLASTICITY_J2_label//')')
if (constitutive_j2_a(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='a (' &
//PLASTICITY_J2_label//')')
if (constitutive_j2_fTaylor(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='taylorfactor (' &
//PLASTICITY_J2_label//')')
if (constitutive_j2_aTolResistance(i) <= 0.0_pReal) call IO_error(211_pInt,ext_msg='aTol_resistance (' &
//PLASTICITY_J2_label//')')
enddo sanityChecks
instancesLoop: do i = 1_pInt,maxNinstance instancesLoop: do i = 1_pInt,maxNinstance
outputsLoop: do o = 1_pInt,constitutive_j2_Noutput(i) outputsLoop: do o = 1_pInt,constitutive_j2_Noutput(i)
select case(constitutive_j2_outputID(o,i)) select case(constitutive_j2_outputID(o,i))
@ -308,14 +304,10 @@ subroutine constitutive_j2_init(fileUnit)
endif endif
enddo outputsLoop enddo outputsLoop
constitutive_j2_sizeDotState(i) = 1_pInt
constitutive_j2_sizeState(i) = 1_pInt
constitutive_j2_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(constitutive_j2_structureID(i),&
constitutive_j2_Cslip_66(1:6,1:6,i))
constitutive_j2_Cslip_66(1:6,1:6,i) = & constitutive_j2_Cslip_66(1:6,1:6,i) = &
math_Mandel3333to66(math_Voigt66to3333(constitutive_j2_Cslip_66(1:6,1:6,i))) ! Literature data is Voigt, DAMASK uses Mandel lattice_symmetrizeC66(constitutive_j2_structureID(i),constitutive_j2_Cslip_66(1:6,1:6,i))
constitutive_j2_Cslip_66(1:6,1:6,i) = & ! Literature data is Voigt, DAMASK uses Mandel
math_Mandel3333to66(math_Voigt66to3333(constitutive_j2_Cslip_66(1:6,1:6,i)))
enddo instancesLoop enddo instancesLoop
end subroutine constitutive_j2_init end subroutine constitutive_j2_init

13
code/constitutive_none.f90
View File

@ -112,8 +112,8 @@ subroutine constitutive_none_init(fileUnit)
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) & if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) &
write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance write(6,'(a16,1x,i5,/)') '# instances:',maxNinstance
allocate(constitutive_none_sizeDotState(maxNinstance), source=0_pInt) allocate(constitutive_none_sizeDotState(maxNinstance), source=1_pInt)
allocate(constitutive_none_sizeState(maxNinstance), source=0_pInt) allocate(constitutive_none_sizeState(maxNinstance), source=1_pInt)
allocate(constitutive_none_sizePostResults(maxNinstance), source=0_pInt) allocate(constitutive_none_sizePostResults(maxNinstance), source=0_pInt)
allocate(constitutive_none_structureID(maxNinstance), source=LATTICE_undefined_ID) allocate(constitutive_none_structureID(maxNinstance), source=LATTICE_undefined_ID)
allocate(constitutive_none_Cslip_66(6,6,maxNinstance), source=0.0_pReal) allocate(constitutive_none_Cslip_66(6,6,maxNinstance), source=0.0_pReal)
@ -141,7 +141,6 @@ subroutine constitutive_none_init(fileUnit)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('plasticity','elasticity') case ('plasticity','elasticity')
cycle
case ('lattice_structure') case ('lattice_structure')
structure = IO_lc(IO_stringValue(line,positions,2_pInt)) structure = IO_lc(IO_stringValue(line,positions,2_pInt))
select case(structure(1:3)) select case(structure(1:3))
@ -182,14 +181,10 @@ subroutine constitutive_none_init(fileUnit)
enddo enddo
instancesLoop: do i = 1_pInt,maxNinstance instancesLoop: do i = 1_pInt,maxNinstance
constitutive_none_sizeDotState(i) = 1_pInt
constitutive_none_sizeState(i) = 1_pInt
constitutive_none_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(constitutive_none_structureID(i),&
constitutive_none_Cslip_66(1:6,1:6,i))
constitutive_none_Cslip_66(1:6,1:6,i) = & constitutive_none_Cslip_66(1:6,1:6,i) = &
lattice_symmetrizeC66(constitutive_none_structureID(i),constitutive_none_Cslip_66(1:6,1:6,i))
constitutive_none_Cslip_66(1:6,1:6,i) = & ! Literature data is Voigt, DAMASK uses Mandel
math_Mandel3333to66(math_Voigt66to3333(constitutive_none_Cslip_66(1:6,1:6,i))) math_Mandel3333to66(math_Voigt66to3333(constitutive_none_Cslip_66(1:6,1:6,i)))
enddo instancesLoop enddo instancesLoop
end subroutine constitutive_none_init end subroutine constitutive_none_init

15
code/homogenization_RGC.f90
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@ -118,7 +118,7 @@ subroutine homogenization_RGC_init(fileUnit)
integer(pInt), intent(in) :: fileUnit !< file pointer to material configuration integer(pInt), intent(in) :: fileUnit !< file pointer to material configuration
integer(pInt), parameter :: MAXNCHUNKS = 4_pInt integer(pInt), parameter :: MAXNCHUNKS = 4_pInt
integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions integer(pInt), dimension(1_pInt+2_pInt*MAXNCHUNKS) :: positions
integer(pInt) ::section=0_pInt, maxNinstance, i,j,e, output=-1_pInt, mySize, myInstance integer(pInt) :: section=0_pInt, maxNinstance, i,j,e, output=-1_pInt, mySize, myInstance
character(len=65536) :: & character(len=65536) :: &
tag = '', & tag = '', &
line = '' line = ''
@ -169,8 +169,7 @@ subroutine homogenization_RGC_init(fileUnit)
positions = IO_stringPos(line,MAXNCHUNKS) positions = IO_stringPos(line,MAXNCHUNKS)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('type') case ('nconstituents','ngrains','type')
cycle
case ('(output)') case ('(output)')
output = output + 1_pInt output = output + 1_pInt
homogenization_RGC_output(output,i) = IO_lc(IO_stringValue(line,positions,2_pInt)) homogenization_RGC_output(output,i) = IO_lc(IO_stringValue(line,positions,2_pInt))
@ -203,6 +202,8 @@ subroutine homogenization_RGC_init(fileUnit)
homogenization_RGC_Ngrains(1,i) = IO_intValue(line,positions,2_pInt) homogenization_RGC_Ngrains(1,i) = IO_intValue(line,positions,2_pInt)
homogenization_RGC_Ngrains(2,i) = IO_intValue(line,positions,3_pInt) homogenization_RGC_Ngrains(2,i) = IO_intValue(line,positions,3_pInt)
homogenization_RGC_Ngrains(3,i) = IO_intValue(line,positions,4_pInt) homogenization_RGC_Ngrains(3,i) = IO_intValue(line,positions,4_pInt)
if (homogenization_Ngrains(section) /= product(homogenization_RGC_Ngrains(1:3,i))) &
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//HOMOGENIZATION_RGC_label//')')
case ('scalingparameter') case ('scalingparameter')
homogenization_RGC_xiAlpha(i) = IO_floatValue(line,positions,2_pInt) homogenization_RGC_xiAlpha(i) = IO_floatValue(line,positions,2_pInt)
case ('overproportionality') case ('overproportionality')
@ -1148,11 +1149,11 @@ subroutine homogenization_RGC_volumePenalty(vPen,vDiscrep,fDef,fAvg,ip,el)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! compute the volumes of grains and of cluster ! compute the volumes of grains and of cluster
vDiscrep = math_det33(fAvg) ! compute the volume of the cluster vDiscrep = math_det33(fAvg) ! compute the volume of the cluster
do iGrain = 1_pInt,nGrain do iGrain = 1_pInt,nGrain
gVol(iGrain) = math_det33(fDef(1:3,1:3,iGrain)) ! compute the volume of individual grains gVol(iGrain) = math_det33(fDef(1:3,1:3,iGrain)) ! compute the volume of individual grains
vDiscrep = vDiscrep - gVol(iGrain)/real(nGrain,pReal) ! calculate the difference/dicrepancy between vDiscrep = vDiscrep - gVol(iGrain)/real(nGrain,pReal) ! calculate the difference/dicrepancy between
! the volume of the cluster and the the total volume of grains ! the volume of the cluster and the the total volume of grains
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

2
code/homogenization_isostrain.f90
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@ -131,7 +131,6 @@ subroutine homogenization_isostrain_init(fileUnit)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case('type') case('type')
cycle
case ('(output)') case ('(output)')
output = output + 1_pInt output = output + 1_pInt
homogenization_isostrain_output(output,i) = IO_lc(IO_stringValue(line,positions,2_pInt)) homogenization_isostrain_output(output,i) = IO_lc(IO_stringValue(line,positions,2_pInt))
@ -159,6 +158,7 @@ subroutine homogenization_isostrain_init(fileUnit)
case ('average','mean','avg') case ('average','mean','avg')
homogenization_isostrain_mapping(i) = average_ID homogenization_isostrain_mapping(i) = average_ID
case default case default
call IO_error(211_pInt,ext_msg=trim(tag)//' ('//HOMOGENIZATION_isostrain_label//')')
end select end select
case default case default
call IO_error(210_pInt,ext_msg=trim(tag)//' ('//HOMOGENIZATION_isostrain_label//')') call IO_error(210_pInt,ext_msg=trim(tag)//' ('//HOMOGENIZATION_isostrain_label//')')