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DAMASK_EICMD
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improved reading in of values, now only warnings in case of problematic entries in material.config 

divergence calculation sqrt scaling optionally introduced for basic scheme spectral solver
This commit is contained in:
Martin Diehl 2013-02-08 15:55:53 +00:00
parent 59e59c90c5
commit e644c6dbc5
5 changed files with 159 additions and 130 deletions
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116
code/IO.f90
View File

@ -844,17 +844,25 @@ end function IO_stringPos
!--------------------------------------------------------------------------------------------------
!> @brief read string value at myPos from line
!--------------------------------------------------------------------------------------------------
function IO_stringValue(line,positions,myPos)
function IO_stringValue(line,positions,myPos,silent)
implicit none
integer(pInt), dimension(:), intent(in) :: positions
integer(pInt), intent(in) :: myPos
character(len=1+positions(myPos*2+1)-positions(myPos*2)) :: IO_stringValue
character(len=*), intent(in) :: line
logical, optional,intent(in) :: silent
logical :: warn
if (.not. present(silent)) then
warn = .false.
else
warn = silent
endif
if (myPos > positions(1)) then
IO_stringValue = ''
call IO_warning(201, e=myPos, ext_msg = trim(line)//' (IO_stringValue)')
if (myPos > positions(1) .or. myPos < 1_pInt) then ! trying to access non-present value
if (warn) call IO_warning(201, e=myPos, ext_msg = 'IO_stringValue: '//trim(line))
else
IO_stringValue = line(positions(myPos*2):positions(myPos*2+1))
endif
@ -868,7 +876,6 @@ end function IO_stringValue
pure function IO_fixedStringValue (line,ends,myPos)
implicit none
integer(pInt), intent(in) :: myPos
integer(pInt), dimension(:), intent(in) :: ends
character(len=ends(myPos+1)-ends(myPos)) :: IO_fixedStringValue
@ -888,25 +895,25 @@ real(pReal) function IO_floatValue (line,positions,myPos)
character(len=*), intent(in) :: line
integer(pInt), dimension(:), intent(in) :: positions
integer(pInt), intent(in) :: myPos
character(len=64), parameter :: myName = 'IO_floatValue'
character(len=15), parameter :: myName = 'IO_floatValue: '
character(len=17), parameter :: validCharacters = '0123456789eEdD.+-'
integer(pInt) :: readStatus, invalidWhere
IO_floatValue = 0.0_pReal
if (myPos > positions(1) .or. myPos < 1_pInt) then ! trying to access non-present value
call IO_warning(201,ext_msg=trim(line)//' ('//trim(myName)//')')
call IO_warning(201,ext_msg=myName//trim(line))
else
invalidWhere = verify(line(positions(myPos*2):positions(myPos*2+1)),validCharacters)
if (invalidWhere /= 0_pInt) then
invalidWhere = invalidWhere-1
call IO_warning(202,ext_msg=line(positions(myPos*2):positions(myPos*2+1))//' ('//trim(myName)//')')
invalidWhere = verify(line(positions(myPos*2):positions(myPos*2+1)),validCharacters) ! search for invalid characters
if (invalidWhere /= 0_pInt) then ! found invaldid character, only read in substring
invalidWhere = invalidWhere - 1_pInt
call IO_warning(202,ext_msg=myName//line(positions(myPos*2):positions(myPos*2+1)))
else
invalidWhere = positions(myPos*2+1)-positions(myPos*2)+1
invalidWhere = positions(myPos*2+1)-positions(myPos*2) + 1_pInt ! read until position(myPos*2+1)
endif
read(UNIT=line(positions(myPos*2):positions(myPos*2)+invalidWhere-1),iostat=readStatus,FMT=*) IO_floatValue
if (readStatus /= 0_pInt) &
call IO_warning(203,ext_msg=line(positions(myPos*2):positions(myPos*2)+invalidWhere-1)//' ('//trim(myName)//')')
read(UNIT=line(positions(myPos*2):positions(myPos*2)+invalidWhere-1),iostat=readStatus,FMT=*) &
IO_floatValue
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203,ext_msg=myName//line(positions(myPos*2):positions(myPos*2)+invalidWhere-1))
endif
end function IO_floatValue
@ -921,24 +928,23 @@ real(pReal) function IO_fixedFloatValue (line,ends,myPos)
character(len=*), intent(in) :: line
integer(pInt), intent(in) :: myPos
integer(pInt), dimension(:), intent(in) :: ends
character(len=64), parameter :: myName = 'IO_fixedFloatValue'
character(len=20), parameter :: myName = 'IO_fixedFloatValue: '
character(len=17), parameter :: validCharacters = '0123456789eEdD.+-'
integer(pInt) :: readStatus, myStart, invalidWhere
IO_fixedFloatValue = 0.0_pReal
myStart = ends(myPos-1) + 1_pInt
myStart = ends(myPos-1)+1
invalidWhere = verify(line(myStart:ends(myPos)),validCharacters)
if (invalidWhere /= 0_pInt) then
invalidWhere = invalidWhere-1
call IO_warning(202,ext_msg=line(myStart:ends(myPos))//' ('//trim(myName)//')')
invalidWhere = verify(line(myStart:ends(myPos)),validCharacters) ! search for invalid character
if (invalidWhere /= 0_pInt) then ! found invaldid character, only read in substring
invalidWhere = invalidWhere - 1_pInt
call IO_warning(202,ext_msg=myName//line(myStart:ends(myPos)))
else
invalidWhere = ends(myPos)-myStart+1
invalidWhere = ends(myPos)-myStart + 1_pInt ! read until ends(myPos)
endif
read(UNIT=line(myStart:myStart+invalidWhere-1),iostat=readStatus,FMT=*) IO_fixedFloatValue
if (readStatus /= 0_pInt) &
call IO_warning(203,ext_msg=line(myStart:myStart+invalidWhere-1)//' ('//trim(myName)//')')
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203,ext_msg=myName//line(myStart:myStart+invalidWhere-1))
end function IO_fixedFloatValue
@ -952,42 +958,45 @@ real(pReal) function IO_fixedNoEFloatValue (line,ends,myPos)
character(len=*), intent(in) :: line
integer(pInt), intent(in) :: myPos
integer(pInt), dimension(:), intent(in) :: ends
character(len=64), parameter :: myName = 'IO_fixedNoEFloatValue'
character(len=22), parameter :: myName = 'IO_fixedNoEFloatValue '
character(len=13), parameter :: validBase = '0123456789.+-'
character(len=12), parameter :: validExp = '0123456789+-'
integer(pInt) :: expon = 0, myStart, readStatus
integer(pInt) :: expon, myStart, readStatus
integer :: pos_exp, end_base, end_exp
real(pReal) :: base = 0.0_pReal
real(pReal) :: base
myStart = ends(myPos-1)+1
base = 0.0_pReal
expon = 0_pInt
myStart = ends(myPos-1) + 1_pInt
pos_exp = scan(line(myStart:ends(myPos)),'+-',back=.true.)
if (pos_exp <= 1_pInt) & ! no exponent but only base
pos_exp = ends(myPos)-myStart+1
pos_exp = ends(myPos)-myStart + 1_pInt
! --- figure out base ---
end_base = verify(line(myStart:myStart+pos_exp-1),validBase)
if (end_base /= 0_pInt) then ! invalid base
end_base = verify(line(myStart:myStart+pos_exp-1),validBase) ! search for invalid character in base
if (end_base /= 0_pInt) then ! found invaldid character, only read in substring
end_base = end_base-1
call IO_warning(202, ext_msg = line(myStart:myStart+pos_exp-1)//' ('//trim(myName)//':base)')
call IO_warning(202, ext_msg = myName//'(base): '//line(myStart:myStart+pos_exp-1))
else
end_base = pos_exp
end_base = pos_exp ! read until begin of exponent
endif
read(UNIT=line(myStart:myStart+end_base-1),iostat=readStatus,FMT=*) base
if (readStatus /= 0_pInt) &
call IO_warning(203, ext_msg = line(myStart:myStart+end_base-1)//' ('//trim(myName)//':base)')
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203, ext_msg = myName//'(base): '//line(myStart:myStart+end_base-1))
! --- figure out exponent ---
end_exp = verify(line(myStart+pos_exp:ends(myPos)),validExp)
if (end_exp /= 0_pInt) then ! invalid exponent
end_exp = end_exp-1
call IO_warning(202, ext_msg = line(myStart+pos_exp:ends(myPos))//' ('//trim(myName)//':exp)')
end_exp = verify(line(myStart+pos_exp:ends(myPos)),validExp) ! search for invalid character in exponent
if (end_exp /= 0_pInt) then ! found invaldid character, only read in substring
end_exp = end_exp - 1_pInt
call IO_warning(202, ext_msg = myName//'(exp): '//line(myStart+pos_exp:ends(myPos)))
else
end_exp = mystart-ends(myPos)+1
end_exp = mystart-ends(myPos) + 1_pInt ! read until end of string
endif
read(UNIT=line(myStart+pos_exp:myStart+end_exp-1),iostat=readStatus,FMT=*) expon
if (readStatus /= 0_pInt) &
call IO_warning(203, ext_msg = line(myStart+pos_exp:myStart+end_exp-1)//' ('//trim(myName)//':exp)')
if (readStatus /= 0_pInt) & ! error during string to float conversion
call IO_warning(203, ext_msg = myName//'(base): '//line(myStart+pos_exp:myStart+end_exp-1))
IO_fixedNoEFloatValue = base*10.0_pReal**expon
@ -1003,25 +1012,26 @@ integer(pInt) function IO_intValue(line,positions,myPos)
character(len=*), intent(in) :: line
integer(pInt), dimension(:), intent(in) :: positions
integer(pInt), intent(in) :: myPos
character(len=64), parameter :: myName = 'IO_intValue'
character(len=13), parameter :: myName = 'IO_intValue: '
character(len=12), parameter :: validCharacters = '0123456789+-'
integer(pInt) :: readStatus, invalidWhere
IO_intValue = 0_pInt
if (myPos > positions(1) .or. myPos < 1_pInt) then ! trying to access non-present value
call IO_warning(201,ext_msg=trim(line)//' ('//trim(myName)//')')
call IO_warning(201,ext_msg=myName//trim(line))
else
invalidWhere = verify(line(positions(myPos*2):positions(myPos*2+1)),validCharacters)
if (invalidWhere /= 0_pInt) then
if (invalidWhere /= 0_pInt) then ! found invaldid character, only read in substring
invalidWhere = invalidWhere-1
call IO_warning(202,ext_msg=line(positions(myPos*2):positions(myPos*2+1))//' ('//trim(myName)//')')
call IO_warning(202,ext_msg=line(positions(myPos*2):positions(myPos*2+1)))
else
invalidWhere = positions(myPos*2+1)-positions(myPos*2)+1
endif
read(UNIT=line(positions(myPos*2):positions(myPos*2)+invalidWhere-1),iostat=readStatus,FMT=*) IO_intValue
if (readStatus /= 0_pInt) &
call IO_warning(203,ext_msg=line(positions(myPos*2):positions(myPos*2)+invalidWhere-1)//' ('//trim(myName)//')')
read(UNIT=line(positions(myPos*2):positions(myPos*2)+invalidWhere-1),iostat=readStatus,FMT=*) &
IO_intValue
if (readStatus /= 0_pInt) & ! error during string to int conversion
call IO_warning(203,ext_msg=myName//line(positions(myPos*2):positions(myPos*2)+invalidWhere-1))
endif
end function IO_intValue
@ -1036,7 +1046,7 @@ integer(pInt) function IO_fixedIntValue(line,ends,myPos)
character(len=*), intent(in) :: line
integer(pInt), intent(in) :: myPos
integer(pInt), dimension(:), intent(in) :: ends
character(len=64), parameter :: myName = 'IO_fixedIntValue'
character(len=18), parameter :: myName = 'IO_fixedIntValue: '
character(len=13), parameter :: validCharacters = '0123456789.+-'
integer(pInt) :: readStatus, myStart, invalidWhere
@ -1047,13 +1057,13 @@ integer(pInt) function IO_fixedIntValue(line,ends,myPos)
invalidWhere = verify(line(myStart:ends(myPos)),validCharacters)
if (invalidWhere /= 0_pInt) then
invalidWhere = invalidWhere-1
call IO_warning(202,ext_msg=line(myStart:ends(myPos))//' ('//trim(myName)//')')
call IO_warning(202,ext_msg=myName//line(myStart:ends(myPos)))
else
invalidWhere = ends(myPos)-myStart+1
endif
read(UNIT=line(myStart:myStart+invalidWhere-1),iostat=readStatus,FMT=*) IO_fixedIntValue
if (readStatus /= 0_pInt) &
call IO_warning(203,ext_msg=line(myStart:myStart+invalidWhere-1)//' ('//trim(myName)//')')
call IO_warning(203,ext_msg=myName//line(myStart:myStart+invalidWhere-1))
end function IO_fixedIntValue

59
code/constitutive_phenopowerlaw.f90
View File

@ -125,20 +125,15 @@ subroutine constitutive_phenopowerlaw_init(myFile)
use debug, only: debug_level,&
debug_constitutive,&
debug_levelBasic
use lattice, only: lattice_initializeStructure, lattice_symmetrizeC66, &
lattice_maxNslipFamily, lattice_maxNtwinFamily, &
lattice_maxNinteraction, lattice_NslipSystem, lattice_NtwinSystem, &
lattice_maxNonSchmid, &
lattice_interactionSlipSlip, &
lattice_interactionSlipTwin, &
lattice_interactionTwinSlip, &
lattice_interactionTwinTwin
use lattice
implicit none
integer(pInt), intent(in) :: myFile
integer(pInt), parameter :: maxNchunks = lattice_maxNinteraction + 1_pInt
integer(pInt), dimension(1+2*maxNchunks) :: positions
integer(pInt) section, maxNinstance, i,j,k, f,o, &
Nchunks_SlipSlip, Nchunks_SlipTwin, Nchunks_TwinSlip, Nchunks_TwinTwin, &
Nchunks_SlipFamilies, Nchunks_TwinFamilies, &
mySize, myStructure, index_myFamily, index_otherFamily
character(len=64) :: tag
character(len=1024) :: line = '' ! to start initialized
@ -151,6 +146,13 @@ subroutine constitutive_phenopowerlaw_init(myFile)
maxNinstance = int(count(phase_plasticity == constitutive_phenopowerlaw_label),pInt)
if (maxNinstance == 0) return
Nchunks_SlipSlip = lattice_maxNinteraction
Nchunks_SlipTwin = lattice_maxNinteraction
Nchunks_TwinSlip = lattice_maxNinteraction
Nchunks_TwinTwin = lattice_maxNinteraction
Nchunks_SlipFamilies = lattice_maxNslipFamily
Nchunks_TwinFamilies = lattice_maxNtwinFamily
if (iand(debug_level(debug_constitutive),debug_levelBasic) /= 0_pInt) then
write(6,'(a16,1x,i5)') '# instances:',maxNinstance
write(6,*)
@ -262,6 +264,29 @@ subroutine constitutive_phenopowerlaw_init(myFile)
IO_lc(IO_stringValue(line,positions,2_pInt))
case ('lattice_structure')
constitutive_phenopowerlaw_structureName(i) = IO_lc(IO_stringValue(line,positions,2_pInt))
select case (constitutive_phenopowerlaw_structureName(i))
case ('fcc')
Nchunks_SlipSlip = maxval(lattice_fcc_interactionSlipSlip)
Nchunks_SlipTwin = maxval(lattice_fcc_interactionSlipTwin)
Nchunks_TwinSlip = maxval(lattice_fcc_interactionTwinSlip)
Nchunks_TwinTwin = maxval(lattice_fcc_interactionTwinTwin)
Nchunks_SlipFamilies = count(lattice_fcc_NslipSystem > 0_pInt)
Nchunks_TwinFamilies = count(lattice_fcc_NtwinSystem > 0_pInt)
case ('bcc')
Nchunks_SlipSlip = maxval(lattice_bcc_interactionSlipSlip)
Nchunks_SlipTwin = maxval(lattice_bcc_interactionSlipTwin)
Nchunks_TwinSlip = maxval(lattice_bcc_interactionTwinSlip)
Nchunks_TwinTwin = maxval(lattice_bcc_interactionTwinTwin)
Nchunks_SlipFamilies = count(lattice_bcc_NslipSystem > 0_pInt)
Nchunks_TwinFamilies = count(lattice_bcc_NtwinSystem > 0_pInt)
case ('hex')
Nchunks_SlipSlip = maxval(lattice_hex_interactionSlipSlip)
Nchunks_SlipTwin = maxval(lattice_hex_interactionSlipTwin)
Nchunks_TwinSlip = maxval(lattice_hex_interactionTwinSlip)
Nchunks_TwinTwin = maxval(lattice_hex_interactionTwinTwin)
Nchunks_SlipFamilies = count(lattice_hex_NslipSystem > 0_pInt)
Nchunks_TwinFamilies = count(lattice_hex_NtwinSystem > 0_pInt)
end select
case ('covera_ratio')
constitutive_phenopowerlaw_CoverA(i) = IO_floatValue(line,positions,2_pInt)
case ('c11')
@ -283,7 +308,7 @@ subroutine constitutive_phenopowerlaw_init(myFile)
case ('c66')
constitutive_phenopowerlaw_Cslip_66(6,6,i) = IO_floatValue(line,positions,2_pInt)
case ('nslip')
do j = 1_pInt, lattice_maxNslipFamily
do j = 1_pInt, Nchunks_SlipFamilies
constitutive_phenopowerlaw_Nslip(j,i) = IO_intValue(line,positions,1_pInt+j)
enddo
case ('gdot0_slip')
@ -291,17 +316,17 @@ subroutine constitutive_phenopowerlaw_init(myFile)
case ('n_slip')
constitutive_phenopowerlaw_n_slip(i) = IO_floatValue(line,positions,2_pInt)
case ('tau0_slip')
do j = 1_pInt, lattice_maxNslipFamily
do j = 1_pInt, Nchunks_SlipFamilies
constitutive_phenopowerlaw_tau0_slip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo
case ('tausat_slip')
do j = 1_pInt, lattice_maxNslipFamily
do j = 1_pInt, Nchunks_SlipFamilies
constitutive_phenopowerlaw_tausat_slip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo
case ('a_slip', 'w0_slip')
constitutive_phenopowerlaw_a_slip(i) = IO_floatValue(line,positions,2_pInt)
case ('ntwin')
do j = 1_pInt, lattice_maxNtwinFamily
do j = 1_pInt, Nchunks_TwinFamilies
constitutive_phenopowerlaw_Ntwin(j,i) = IO_intValue(line,positions,1_pInt+j)
enddo
case ('gdot0_twin')
@ -309,7 +334,7 @@ subroutine constitutive_phenopowerlaw_init(myFile)
case ('n_twin')
constitutive_phenopowerlaw_n_twin(i) = IO_floatValue(line,positions,2_pInt)
case ('tau0_twin')
do j = 1_pInt, lattice_maxNtwinFamily
do j = 1_pInt, Nchunks_TwinFamilies
constitutive_phenopowerlaw_tau0_twin(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo
case ('s_pr')
@ -338,19 +363,19 @@ subroutine constitutive_phenopowerlaw_init(myFile)
case ('atol_twinfrac')
constitutive_phenopowerlaw_aTolTwinfrac(i) = IO_floatValue(line,positions,2_pInt)
case ('interaction_slipslip')
do j = 1_pInt, lattice_maxNinteraction
do j = 1_pInt, Nchunks_SlipSlip
constitutive_phenopowerlaw_interaction_SlipSlip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo
case ('interaction_sliptwin')
do j = 1_pInt, lattice_maxNinteraction
do j = 1_pInt, Nchunks_SlipTwin
constitutive_phenopowerlaw_interaction_SlipTwin(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo
case ('interaction_twinslip')
do j = 1_pInt, lattice_maxNinteraction
do j = 1_pInt, Nchunks_TwinSlip
constitutive_phenopowerlaw_interaction_TwinSlip(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo
case ('interaction_twintwin')
do j = 1_pInt, lattice_maxNinteraction
do j = 1_pInt, Nchunks_TwinTwin
constitutive_phenopowerlaw_interaction_TwinTwin(j,i) = IO_floatValue(line,positions,1_pInt+j)
enddo
case ('nonschmid_coefficients')

28
code/debug.f90
View File

@ -144,12 +144,9 @@ subroutine debug_init
integer(pInt), dimension(1+2*maxNchunks) :: positions
character(len=64) :: tag
character(len=1024) :: line
!$OMP CRITICAL (write2out)
write(6,*)
write(6,*) '<<<+- debug init -+>>>'
write(6,*) '$Id$'
write(6,'(/,a)') ' <<<+- debug init -+>>>'
write(6,'(a)') ' $Id$'
#include "compilation_info.f90"
!$OMP END CRITICAL (write2out)
if (allocated(debug_StressLoopDistribution)) &
deallocate(debug_StressLoopDistribution)
@ -223,7 +220,7 @@ subroutine debug_init
what = debug_maxNtype + 2_pInt
end select
if(what /= 0) then
do i = 2_pInt, maxNchunks
do i = 2_pInt, positions(1)
select case(IO_lc(IO_stringValue(line,positions,i)))
case('basic')
debug_level(what) = ior(debug_level(what), debug_levelBasic)
@ -254,21 +251,14 @@ subroutine debug_init
debug_level(i) = ior(debug_level(i), debug_level(debug_maxNtype + 1_pInt)) ! fill all debug types with levels specified by "all"
enddo
if (iand(debug_level(debug_debug),debug_levelBasic) /= 0) then
!$OMP CRITICAL (write2out)
write(6,*) 'using values from config file'
write(6,*)
!$OMP END CRITICAL (write2out)
endif
if (iand(debug_level(debug_debug),debug_levelBasic) /= 0) &
write(6,'(a,/)') ' using values from config file'
! no config file, so we use standard values
else
if (iand(debug_level(debug_debug),debug_levelBasic) /= 0) then
!$OMP CRITICAL (write2out)
write(6,*) 'using standard values'
write(6,*)
!$OMP END CRITICAL (write2out)
endif
if (iand(debug_level(debug_debug),debug_levelBasic) /= 0) &
write(6,'(a,/)') ' using standard values'
endif
!output switched on (debug level for debug must be extensive)
@ -302,7 +292,6 @@ subroutine debug_init
end select
if(debug_level(i) /= 0) then
!$OMP CRITICAL (write2out)
write(6,'(a,a)') tag,' debugging:'
if(iand(debug_level(i),debug_levelBasic) /= 0) write(6,'(a)') ' basic'
if(iand(debug_level(i),debug_levelExtensive) /= 0) write(6,'(a)') ' extensive'
@ -317,7 +306,6 @@ subroutine debug_init
if(iand(debug_level(i),debug_spectralDivergence)/= 0) write(6,'(a)') ' divergence'
if(iand(debug_level(i),debug_spectralRotation) /= 0) write(6,'(a)') ' rotation'
if(iand(debug_level(i),debug_spectralPETSc) /= 0) write(6,'(a)') ' PETSc'
!$OMP END CRITICAL (write2out)
endif
enddo
endif

36
code/lattice.f90
View File

@ -96,10 +96,10 @@ module lattice
!--------------------------------------------------------------------------------------------------
! fcc (1)
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
lattice_fcc_NslipSystem = int([12, 0, 0, 0, 0],pInt)
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, private :: &
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: &
lattice_fcc_NtwinSystem = int([12, 0, 0, 0],pInt)
integer(pInt), parameter, private :: &
@ -157,7 +157,7 @@ module lattice
0.7071067812_pReal &
],[lattice_fcc_Ntwin]) !< Twin system <112>{111} Sorted according to Eisenlohr & Hantcherli
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), target, private :: &
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Nslip), target, public :: &
lattice_fcc_interactionSlipSlip = reshape(int( [&
1,2,2,4,6,5,3,5,5,4,5,6, & ! ---> slip
2,1,2,6,4,5,5,4,6,5,3,5, & ! |
@ -180,7 +180,7 @@ module lattice
!< 5 --- glissile junctions
!< 6 --- Lomer locks
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin), target, private :: &
integer(pInt), dimension(lattice_fcc_Nslip,lattice_fcc_Ntwin), target, public :: &
lattice_fcc_interactionSlipTwin = reshape(int( [&
1,1,1,3,3,3,2,2,2,3,3,3, & ! ---> twin
1,1,1,3,3,3,3,3,3,2,2,2, & ! |
@ -200,10 +200,10 @@ module lattice
!< 2 --- screw trace between slip system and twin habit plane (easy cross slip)
!< 3 --- other interaction
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, private :: &
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Nslip), target, public :: &
lattice_fcc_interactionTwinSlip = 0_pInt
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin), target, private :: &
integer(pInt), dimension(lattice_fcc_Ntwin,lattice_fcc_Ntwin), target, public :: &
lattice_fcc_interactionTwinTwin = reshape(int( [&
1,1,1,2,2,2,2,2,2,2,2,2, & ! ---> twin
1,1,1,2,2,2,2,2,2,2,2,2, & ! |
@ -230,10 +230,10 @@ module lattice
!--------------------------------------------------------------------------------------------------
! bcc (2)
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
lattice_bcc_NslipSystem = int([ 12, 12, 0, 0, 0], pInt)
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, private :: &
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: &
lattice_bcc_NtwinSystem = int([ 12, 0, 0, 0], pInt)
integer(pInt), parameter, private :: &
@ -334,7 +334,7 @@ module lattice
],[lattice_bcc_Ntwin])
! slip--slip interactions for BCC structures (2) from Lee et al. Int J Plast 15 (1999) 625-645
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, private :: &
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Nslip), target, public :: &
lattice_bcc_interactionSlipSlip = reshape(int( [&
1,3,6,6,5,4,4,2,4,2,5,4, 6,6,4,2,2,4,6,6,4,2,6,6, & ! ---> slip
3,1,6,6,4,2,5,4,5,4,4,2, 6,6,2,4,4,2,6,6,2,4,6,6, & ! |
@ -370,7 +370,7 @@ module lattice
!< 5 --- weak sessile interaction
!< 6 --- strong sessile interaction
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, private :: &
integer(pInt), dimension(lattice_bcc_Nslip,lattice_bcc_Ntwin), target, public :: &
lattice_bcc_interactionSlipTwin = reshape(int( [&
3,3,3,2,2,3,3,3,3,2,3,3, & ! ---> twin
3,3,2,3,3,2,3,3,2,3,3,3, & ! |
@ -404,11 +404,11 @@ module lattice
!< 3 --- other interaction
! twin--slip interactions for BCC structures (2) MISSING: not implemented yet
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, private :: &
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip), target, public :: &
lattice_bcc_interactionTwinSlip = 0_pInt
! twin--twin interactions for BCC structures (2)
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, private :: &
integer(pInt), dimension(lattice_bcc_Ntwin,lattice_bcc_Ntwin), target, public :: &
lattice_bcc_interactionTwinTwin = reshape(int( [&
1,3,3,3,3,3,3,2,3,3,2,3, & ! ---> twin
3,1,3,3,3,3,2,3,3,3,3,2, & ! |
@ -438,10 +438,10 @@ module lattice
!--------------------------------------------------------------------------------------------------
! hex (3+)
integer(pInt), dimension(lattice_maxNslipFamily), parameter, private :: &
integer(pInt), dimension(lattice_maxNslipFamily), parameter, public :: &
lattice_hex_NslipSystem = int([ 3, 3, 6, 12, 6],pInt)
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, private :: &
integer(pInt), dimension(lattice_maxNtwinFamily), parameter, public :: &
lattice_hex_NtwinSystem = int([ 6, 6, 6, 6],pInt)
integer(pInt), parameter , private :: &
@ -555,7 +555,7 @@ module lattice
!* 3. twin-twin interaction - 20 types
!* 4. twin-slip interaction - 16 types
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Nslip), target, private :: &
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Nslip), target, public :: &
lattice_hex_interactionSlipSlip = reshape(int( [&
1, 6, 6, 11,11,11, 15,15,15,15,15,15, 18,18,18,18,18,18,18,18,18,18,18,18, 20,20,20,20,20,20, & ! ---> slip
6, 1, 6, 11,11,11, 15,15,15,15,15,15, 18,18,18,18,18,18,18,18,18,18,18,18, 20,20,20,20,20,20, & ! |
@ -594,7 +594,7 @@ module lattice
],pInt),[lattice_hex_Nslip,lattice_hex_Nslip],order=[2,1])
!* isotropic interaction at the moment
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Ntwin), target, private :: &
integer(pInt), dimension(lattice_hex_Nslip,lattice_hex_Ntwin), target, public :: &
lattice_hex_interactionSlipTwin = reshape(int( [&
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! --> twin
1, 1, 1, 1, 1, 1, 2, 2, 2, 2, 2, 2, 3, 3, 3, 3, 3, 3, 4, 4, 4, 4, 4, 4, & ! |
@ -633,7 +633,7 @@ module lattice
],pInt),[lattice_hex_Nslip,lattice_hex_Ntwin],order=[2,1])
!* isotropic interaction at the moment
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Nslip), target, private :: &
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Nslip), target, public :: &
lattice_hex_interactionTwinSlip = reshape(int( [&
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! --> slip
1, 1, 1, 5, 5, 5, 9, 9, 9, 9, 9, 9, 13,13,13,13,13,13,13,13,13,13,13,13, 17,17,17,17,17,17, & ! |
@ -665,7 +665,7 @@ module lattice
],pInt),[lattice_hex_Ntwin,lattice_hex_Nslip],order=[2,1])
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Ntwin), target, private :: &
integer(pInt), dimension(lattice_hex_Ntwin,lattice_hex_Ntwin), target, public :: &
lattice_hex_interactionTwinTwin = reshape(int( [&
1, 5, 5, 5, 5, 5, 9, 9, 9, 9, 9, 9, 12,12,12,12,12,12, 14,14,14,14,14,14, & ! ---> twin
5, 1, 5, 5, 5, 5, 9, 9, 9, 9, 9, 9, 12,12,12,12,12,12, 14,14,14,14,14,14, & ! |

40
code/mesh.f90
View File

@ -426,11 +426,10 @@ subroutine mesh_init(ip,el)
implicit none
integer(pInt), parameter :: fileUnit = 222_pInt
integer(pInt), intent(in) :: el, ip
integer(pInt) :: e
integer(pInt) :: j
write(6,*)
write(6,*) '<<<+- mesh init -+>>>'
write(6,*) '$Id$'
write(6,'(/,a)') ' <<<+- mesh init -+>>>'
write(6,'(a)') ' $Id$'
#include "compilation_info.f90"
if (allocated(mesh_mapFEtoCPelem)) deallocate(mesh_mapFEtoCPelem)
@ -463,12 +462,17 @@ subroutine mesh_init(ip,el)
! scale dimension to calculate either uncorrected, dimension-independent, or dimension- and reso-
! lution-independent divergence
if (divergence_correction == 1_pInt) then
do e = 1_pInt, 3_pInt
if (e /= minloc(geomdim,1) .and. e /= maxloc(geomdim,1)) scaledDim = geomdim/geomdim(e)
do j = 1_pInt, 3_pInt
if (j /= minloc(geomdim,1) .and. j /= maxloc(geomdim,1)) scaledDim = geomdim/geomdim(j)
enddo
elseif (divergence_correction == 2_pInt) then
do e = 1_pInt, 3_pInt
if (e /= minloc(geomdim/res,1) .and. e /= maxloc(geomdim/res,1)) scaledDim = geomdim/geomdim(e)*res(e)
do j = 1_pInt, 3_pInt
if (j /= minloc(geomdim/res,1) .and. j /= maxloc(geomdim/res,1)) scaledDim = geomdim/geomdim(j)*res(j)
enddo
elseif (divergence_correction == 3_pInt) then
do j = 1_pInt, 3_pInt
if (j/=minloc(geomdim/sqrt(real(res,pReal)),1) .and. j/=maxloc(geomdim/sqrt(real(res,pReal)),1))&
scaledDim=geomdim/geomdim(j)*sqrt(real(res(j),pReal))
enddo
else
scaledDim = geomdim
@ -530,7 +534,7 @@ subroutine mesh_init(ip,el)
FEsolving_execElem = [ 1_pInt,mesh_NcpElems ]
if (allocated(FEsolving_execIP)) deallocate(FEsolving_execIP)
allocate(FEsolving_execIP(2_pInt,mesh_NcpElems)); FEsolving_execIP = 1_pInt
forall (e = 1_pInt:mesh_NcpElems) FEsolving_execIP(2,e) = FE_Nips(FE_geomtype(mesh_element(2,e)))
forall (j = 1_pInt:mesh_NcpElems) FEsolving_execIP(2,j) = FE_Nips(FE_geomtype(mesh_element(2,j)))
if (allocated(calcMode)) deallocate(calcMode)
allocate(calcMode(mesh_maxNips,mesh_NcpElems))
@ -809,7 +813,7 @@ function mesh_spectral_getResolution(fileUnit)
read(myUnit,'(a1024)') line
positions = IO_stringPos(line,7_pInt)
keyword = IO_lc(IO_StringValue(line,positions,2_pInt))
keyword = IO_lc(IO_StringValue(line,positions,2_pInt,.true.))
if (keyword(1:4) == 'head') then
headerLength = IO_intValue(line,positions,1_pInt) + 1_pInt
else
@ -819,7 +823,7 @@ function mesh_spectral_getResolution(fileUnit)
do i = 1_pInt, headerLength
read(myUnit,'(a1024)') line
positions = IO_stringPos(line,7_pInt)
select case ( IO_lc(IO_StringValue(line,positions,1_pInt)) )
select case ( IO_lc(IO_StringValue(line,positions,1_pInt,.true.)) )
case ('resolution')
gotResolution = .true.
do j = 2_pInt,6_pInt,2_pInt
@ -890,7 +894,7 @@ function mesh_spectral_getDimension(fileUnit)
read(myUnit,'(a1024)') line
positions = IO_stringPos(line,7_pInt)
keyword = IO_lc(IO_StringValue(line,positions,2_pInt))
keyword = IO_lc(IO_StringValue(line,positions,2_pInt,.true.))
if (keyword(1:4) == 'head') then
headerLength = IO_intValue(line,positions,1_pInt) + 1_pInt
else
@ -900,7 +904,7 @@ function mesh_spectral_getDimension(fileUnit)
do i = 1_pInt, headerLength
read(myUnit,'(a1024)') line
positions = IO_stringPos(line,7_pInt)
select case ( IO_lc(IO_StringValue(line,positions,1)) )
select case ( IO_lc(IO_StringValue(line,positions,1,.true.)) )
case ('dimension')
gotDimension = .true.
do j = 2_pInt,6_pInt,2_pInt
@ -964,7 +968,7 @@ function mesh_spectral_getHomogenization(fileUnit)
read(myUnit,'(a1024)') line
positions = IO_stringPos(line,7_pInt)
keyword = IO_lc(IO_StringValue(line,positions,2_pInt))
keyword = IO_lc(IO_StringValue(line,positions,2_pInt,.true.))
if (keyword(1:4) == 'head') then
headerLength = IO_intValue(line,positions,1_pInt) + 1_pInt
else
@ -974,7 +978,7 @@ function mesh_spectral_getHomogenization(fileUnit)
do i = 1_pInt, headerLength
read(myUnit,'(a1024)') line
positions = IO_stringPos(line,7_pInt)
select case ( IO_lc(IO_StringValue(line,positions,1)) )
select case ( IO_lc(IO_StringValue(line,positions,1,.true.)) )
case ('homogenization')
gotHomogenization = .true.
mesh_spectral_getHomogenization = IO_intValue(line,positions,2_pInt)
@ -989,6 +993,8 @@ function mesh_spectral_getHomogenization(fileUnit)
call IO_error(error_ID = 842_pInt, ext_msg='mesh_spectral_getHomogenization')
end function mesh_spectral_getHomogenization
!--------------------------------------------------------------------------------------------------
!> @brief Count overall number of nodes and elements in mesh and stores them in
!! 'mesh_Nelems' and 'mesh_Nnodes'
@ -1129,7 +1135,7 @@ subroutine mesh_spectral_build_elements(myUnit)
read(myUnit,'(a65536)') line
myPos = IO_stringPos(line,7_pInt)
keyword = IO_lc(IO_StringValue(line,myPos,2_pInt))
keyword = IO_lc(IO_StringValue(line,myPos,2_pInt,.true.))
if (keyword(1:4) == 'head') then
headerLength = IO_intValue(line,myPos,1_pInt) + 1_pInt
else
@ -1735,7 +1741,7 @@ function mesh_deformedCoordsLinear(gDim,F,FavgIn) result(coords)
real(pReal), dimension(3,0:size(F,3)-1,0:size(F,4)-1,0:size(F,5)-1,0:7) :: &
coordsAvgOrder
integer(pInt), parameter, dimension(3) :: &
iOnes = 1.0_pReal
iOnes = 1_pInt
real(pReal), parameter, dimension(3) :: &
fOnes = 1.0_pReal
real(pReal), dimension(3) :: &