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DAMASK_EICMD
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replace log scaling with geometric regression scaling 

more flexibility in time discretization via parameter 'r'.
Also, changed variable names to reflect names in loadcase.yaml
This commit is contained in:
Martin Diehl 2020-11-25 15:57:34 +01:00
parent a3dc8d8ab8
commit 5bed0787ed
4 changed files with 57 additions and 59 deletions
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2
PRIVATE

@ -1 +1 @@
Subproject commit a6be226f2ab08cfa44adabf37168f4d952d6174f Subproject commit 803cf6bd65655159cb2f9a5de81d008ab75e061c

2
src/IO.f90
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@ -489,6 +489,8 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
msg = 'mask consistency violated in grid load case' msg = 'mask consistency violated in grid load case'
case (832) case (832)
msg = 'ill-defined L (line partly defined) in grid load case' msg = 'ill-defined L (line partly defined) in grid load case'
case (833)
msg = 'non-positive ratio for geometric progression'
case (834) case (834)
msg = 'negative time increment in grid load case' msg = 'negative time increment in grid load case'
case (835) case (835)

99
src/grid/DAMASK_grid.f90
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@ -27,6 +27,19 @@ program DAMASK_grid
implicit none implicit none
type :: tLoadCase
type(rotation) :: rot !< rotation of BC
type(tBoundaryCondition) :: stress, & !< stress BC
deformation !< deformation BC (dot_F, F, or L)
real(pReal) :: t, & !< length of increment
r !< ratio of geometric progression
integer :: N, & !< number of increments
f_out, & !< frequency of result writes
f_restart !< frequency of restart writes
logical :: drop_guessing !< do not follow trajectory of former loadcase
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
end type tLoadCase
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! variables related to information from load case and geom file ! variables related to information from load case and geom file
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0) real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
@ -201,38 +214,36 @@ program DAMASK_grid
loadCases(l)%stress%mask = transpose(reshape(temp_maskVector,[ 3,3])) loadCases(l)%stress%mask = transpose(reshape(temp_maskVector,[ 3,3]))
loadCases(l)%stress%values = math_9to33(temp_valueVector) loadCases(l)%stress%values = math_9to33(temp_valueVector)
end select end select
call loadCases(l)%rot%fromAxisAngle(step_mech%get_asFloats('R', & call loadCases(l)%rot%fromAxisAngle(step_mech%get_asFloats('R',defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
enddo readMech enddo readMech
if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/F/dot_F missing') if (.not. allocated(loadCases(l)%deformation%myType)) call IO_error(error_ID=837,ext_msg = 'L/F/dot_F missing')
step_discretization => load_step%get('discretization') step_discretization => load_step%get('discretization')
if(.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing') if(.not. step_discretization%contains('t')) call IO_error(error_ID=837,ext_msg = 't missing')
if(.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing') if(.not. step_discretization%contains('N')) call IO_error(error_ID=837,ext_msg = 'N missing')
loadCases(l)%time = step_discretization%get_asFloat('t') loadCases(l)%t = step_discretization%get_asFloat('t')
loadCases(l)%incs = step_discretization%get_asInt ('N') loadCases(l)%N = step_discretization%get_asInt ('N')
loadCases(l)%logscale = step_discretization%get_asBool ('log_timestep', defaultVal= .false.) loadCases(l)%r = step_discretization%get_asFloat('r', defaultVal= 1.0_pReal)
loadCases(l)%outputfrequency = step_discretization%get_asInt ('f_out', defaultVal=1) loadCases(l)%f_out = step_discretization%get_asInt ('f_out', defaultVal=1)
loadCases(l)%restartfrequency = step_discretization%get_asInt ('f_restart', defaultVal=huge(0)) loadCases(l)%f_restart = step_discretization%get_asInt ('f_restart', defaultVal=huge(0))
loadCases(l)%followFormerTrajectory = .not. (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. & loadCases(l)%drop_guessing = (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. &
merge(.false.,.true.,l > 1)) ! do not continue to predict deformation along former trajectory merge(.false.,.true.,l > 1))
reportAndCheck: if (worldrank == 0) then reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i0)' ) l write (loadcase_string, '(i0)' ) l
print'(/,a,i0)', ' load case: ', l print'(/,a,i0)', ' load case: ', l
if (.not. loadCases(l)%followFormerTrajectory) & print*, ' drop_guessing:', loadCases(l)%drop_guessing
print*, ' drop guessing along trajectory'
if (loadCases(l)%deformation%myType == 'L') then if (loadCases(l)%deformation%myType == 'L') then
do j = 1, 3 do j = 1, 3
if (any(loadCases(l)%deformation%mask(j,1:3) .eqv. .true.) .and. & if (any(loadCases(l)%deformation%mask(j,1:3) .eqv. .true.) .and. &
any(loadCases(l)%deformation%mask(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined any(loadCases(l)%deformation%mask(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
enddo enddo
print*, ' velocity gradient:' print*, ' L:'
else if (loadCases(l)%deformation%myType == 'F') then else if (loadCases(l)%deformation%myType == 'F') then
print*, ' deformation gradient at end of load case:' print*, ' F:'
else if (loadCases(l)%deformation%myType == 'dot_F') then else if (loadCases(l)%deformation%myType == 'dot_F') then
print*, ' deformation gradient rate:' print*, ' dot_F:'
endif endif
do i = 1, 3; do j = 1, 3 do i = 1, 3; do j = 1, 3
if(loadCases(l)%deformation%mask(i,j)) then if(loadCases(l)%deformation%mask(i,j)) then
@ -245,27 +256,32 @@ program DAMASK_grid
if (any(loadCases(l)%stress%mask .eqv. loadCases(l)%deformation%mask)) errorID = 831 ! exclusive or masking only if (any(loadCases(l)%stress%mask .eqv. loadCases(l)%deformation%mask)) errorID = 831 ! exclusive or masking only
if (any(loadCases(l)%stress%mask .and. transpose(loadCases(l)%stress%mask) .and. (math_I3<1))) & if (any(loadCases(l)%stress%mask .and. transpose(loadCases(l)%stress%mask) .and. (math_I3<1))) &
errorID = 838 ! no rotation is allowed by stress BC errorID = 838 ! no rotation is allowed by stress BC
print*, ' stress / GPa:' print*, ' P / MPa:'
do i = 1, 3; do j = 1, 3 do i = 1, 3; do j = 1, 3
if(loadCases(l)%stress%mask(i,j)) then if(loadCases(l)%stress%mask(i,j)) then
write(IO_STDOUT,'(2x,f12.7)',advance='no') loadCases(l)%stress%values(i,j)*1e-9_pReal write(IO_STDOUT,'(2x,f12.4)',advance='no') loadCases(l)%stress%values(i,j)*1e-6_pReal
else else
write(IO_STDOUT,'(2x,12a)',advance='no') ' x ' write(IO_STDOUT,'(2x,12a)',advance='no') ' x '
endif endif
enddo; write(IO_STDOUT,'(/)',advance='no') enddo; write(IO_STDOUT,'(/)',advance='no')
enddo enddo
if (any(dNeq(loadCases(l)%rot%asMatrix(), math_I3))) & if (any(dNeq(loadCases(l)%rot%asMatrix(), math_I3))) &
write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',& write(IO_STDOUT,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'R:',&
transpose(loadCases(l)%rot%asMatrix()) transpose(loadCases(l)%rot%asMatrix())
if (loadCases(l)%time < 0.0_pReal) errorID = 834 ! negative time increment
print'(a,f0.3)', ' time: ', loadCases(l)%time if (loadCases(l)%t < 0.0_pReal) errorID = 834
if (loadCases(l)%incs < 1) errorID = 835 ! non-positive incs count print'(a,f0.3)', ' t: ', loadCases(l)%t
print'(a,i0)', ' increments: ', loadCases(l)%incs if (loadCases(l)%N < 1) errorID = 835
if (loadCases(l)%outputfrequency < 1) errorID = 836 ! non-positive result frequency print'(a,i0)', ' N: ', loadCases(l)%N
print'(a,i0)', ' output frequency: ', loadCases(l)%outputfrequency if (loadCases(l)%f_out < 1) errorID = 836
if (loadCases(l)%restartfrequency < 1) errorID = 839 ! non-positive restart frequency print'(a,i0)', ' f_out: ', loadCases(l)%f_out
if (loadCases(l)%restartfrequency < huge(0)) & if (loadCases(l)%r <= 0.0) errorID = 833
print'(a,i0)', ' restart frequency: ', loadCases(l)%restartfrequency print'(a,f0.3)', ' r: ', loadCases(l)%r
if (loadCases(l)%f_restart < 1) errorID = 839
if (loadCases(l)%f_restart < huge(0)) &
print'(a,i0)', ' f_restart: ', loadCases(l)%f_restart
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
endif reportAndCheck endif reportAndCheck
enddo enddo
@ -308,26 +324,19 @@ program DAMASK_grid
loadCaseLooping: do l = 1, size(loadCases) loadCaseLooping: do l = 1, size(loadCases)
time0 = time ! load case start time time0 = time ! load case start time
guess = loadCases(l)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc guess = .not. loadCases(l)%drop_guessing ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(l)%incs incLooping: do inc = 1, loadCases(l)%N
totalIncsCounter = totalIncsCounter + 1 totalIncsCounter = totalIncsCounter + 1
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! forwarding time ! forwarding time
timeIncOld = timeinc ! last timeinc that brought former inc to an end timeIncOld = timeinc ! last timeinc that brought former inc to an end
if (.not. loadCases(l)%logscale) then ! linear scale if (dEq(loadCases(l)%r,1.0_pReal,1.e-9_pReal)) then ! linear scale
timeinc = loadCases(l)%time/real(loadCases(l)%incs,pReal) timeinc = loadCases(l)%t/real(loadCases(l)%N,pReal)
else else
if (l == 1) then ! 1st load case of logarithmic scale timeinc = loadCases(l)%t * (loadCases(l)%r**(inc-1)-loadCases(l)%r**inc) &
timeinc = loadCases(1)%time*(2.0_pReal**real(max(inc-1,1)-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd / (1.0_pReal-loadCases(l)%r**loadCases(l)%N)
else ! not-1st load case of logarithmic scale
timeinc = time0 * &
( (1.0_pReal + loadCases(l)%time/time0 )**(real( inc ,pReal)/&
real(loadCases(l)%incs ,pReal))&
-(1.0_pReal + loadCases(l)%time/time0 )**(real( inc-1 ,pReal)/&
real(loadCases(l)%incs ,pReal)))
endif
endif endif
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
@ -338,7 +347,7 @@ program DAMASK_grid
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel) subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
remainingLoadCaseTime = loadCases(l)%time+time0 - time remainingLoadCaseTime = loadCases(l)%t+time0 - time
time = time + timeinc ! forward target time time = time + timeinc ! forward target time
stepFraction = stepFraction + 1 ! count step stepFraction = stepFraction + 1 ! count step
@ -347,11 +356,11 @@ program DAMASK_grid
print'(/,a)', ' ###########################################################################' print'(/,a)', ' ###########################################################################'
print'(1x,a,es12.5,6(a,i0))', & print'(1x,a,es12.5,6(a,i0))', &
'Time', time, & 'Time', time, &
's: Increment ', inc,'/',loadCases(l)%incs,& 's: Increment ', inc,'/',loadCases(l)%N,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,& '-', stepFraction,'/',subStepFactor**cutBackLevel,&
' of load case ', l,'/',size(loadCases) ' of load case ', l,'/',size(loadCases)
write(incInfo,'(4(a,i0))') & write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),& 'Increment ',totalIncsCounter,'/',sum(loadCases%N),&
'-', stepFraction,'/',subStepFactor**cutBackLevel '-', stepFraction,'/',subStepFactor**cutBackLevel
flush(IO_STDOUT) flush(IO_STDOUT)
@ -420,7 +429,7 @@ program DAMASK_grid
else ! no more options to continue else ! no more options to continue
call IO_warning(850) call IO_warning(850)
if (worldrank == 0) close(statUnit) if (worldrank == 0) close(statUnit)
call quit(0) ! quit call quit(0)
endif endif
enddo subStepLooping enddo subStepLooping
@ -433,12 +442,12 @@ program DAMASK_grid
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged' print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(IO_STDOUT) endif; flush(IO_STDOUT)
if (mod(inc,loadCases(l)%outputFrequency) == 0) then ! at output frequency if (mod(inc,loadCases(l)%f_out) == 0) then
print'(1/,a)', ' ... writing results to file ......................................' print'(1/,a)', ' ... writing results to file ......................................'
flush(IO_STDOUT) flush(IO_STDOUT)
call CPFEM_results(totalIncsCounter,time) call CPFEM_results(totalIncsCounter,time)
endif endif
if (mod(inc,loadCases(l)%restartFrequency) == 0) then if (mod(inc,loadCases(l)%f_restart) == 0) then
call mech_restartWrite call mech_restartWrite
call CPFEM_restartWrite call CPFEM_restartWrite
endif endif

13
src/grid/spectral_utilities.f90
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@ -87,19 +87,6 @@ module spectral_utilities
character(len=:), allocatable :: myType character(len=:), allocatable :: myType
end type tBoundaryCondition end type tBoundaryCondition
type, public :: tLoadCase
type(rotation) :: rot !< rotation of BC
type(tBoundaryCondition) :: stress, & !< stress BC
deformation !< deformation BC (dot_F, F, or L)
real(pReal) :: time !< length of increment
integer :: incs, & !< number of increments
outputfrequency, & !< frequency of result writes
restartfrequency !< frequency of restart writes
logical :: followFormerTrajectory, & !< follow trajectory of former loadcase
logscale !< logarithmic time inc flag
integer(kind(FIELD_UNDEFINED_ID)), allocatable :: ID(:)
end type tLoadCase
type, public :: tSolutionParams type, public :: tSolutionParams
real(pReal), dimension(3,3) :: stress_BC real(pReal), dimension(3,3) :: stress_BC
logical, dimension(3,3) :: stress_mask logical, dimension(3,3) :: stress_mask