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DAMASK_EICMD
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Merge branch 'development' into ShowGrainBoundaries 

Fix compiling error by merging development branch into ShowGB branch.
This commit is contained in:
f.basile 2020-10-26 10:35:33 +01:00
parent 1cbfa866d2 93a791abd1
commit d6b9783794
16 changed files with 229 additions and 233 deletions
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13
.gitlab-ci.yml
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@ -99,6 +99,7 @@ checkout:
- git submodule update --init
- source env/DAMASK.sh
- make processing
- mkdir /tmp/$CI_PIPELINE_ID
except:
- master
- release
@ -108,7 +109,7 @@ Pytest_python:
stage: python
script:
- cd $DAMASKROOT/python
- pytest
- pytest --basetemp=/tmp/${CI_PIPELINE_ID}/python
except:
- master
- release
@ -194,7 +195,7 @@ grid_mech_compile_Intel:
- cp -r grid_mech_compile grid_mech_compile_Intel
- grid_mech_compile_Intel/test.py
- cd pytest
- pytest -k 'compile and grid'
- pytest -k 'compile and grid' --basetemp=/tmp/${CI_PIPELINE_ID}/compile_grid_Intel
except:
- master
- release
@ -206,7 +207,7 @@ Compile_FEM_Intel:
- cp -r FEM_compile FEM_compile_Intel
- FEM_compile_Intel/test.py
- cd pytest
- pytest -k 'compile and mesh'
- pytest -k 'compile and mesh' --basetemp=/tmp/${CI_PIPELINE_ID}/compile_mesh_Intel
except:
- master
- release
@ -218,7 +219,7 @@ grid_mech_compile_GNU:
- cp -r grid_mech_compile grid_mech_compile_GNU
- grid_mech_compile_GNU/test.py
- cd pytest
- pytest -k 'compile and grid'
- pytest -k 'compile and grid' --basetemp=/tmp/${CI_PIPELINE_ID}/compile_grid_GNU
except:
- master
- release
@ -230,7 +231,7 @@ Compile_FEM_GNU:
- cp -r FEM_compile FEM_compile_GNU
- FEM_compile_GNU/test.py
- cd pytest
- pytest -k 'compile and mesh'
- pytest -k 'compile and mesh' --basetemp=/tmp/${CI_PIPELINE_ID}/compile_mesh_GNU
except:
- master
- release
@ -252,7 +253,7 @@ Pytest_grid:
script:
- module load $IntelCompiler $MPICH_Intel $PETSc_MPICH_Intel
- cd pytest
- pytest -m 'not compile'
- pytest -m 'not compile' --basetemp=/tmp/${CI_PIPELINE_ID}/fortran
except:
- master
- release

2
PRIVATE

@ -1 +1 @@
Subproject commit dde6a5836089b14bd39d4393a47b82b351d2bd85
Subproject commit 1e8c66897820468ab46958d995005e2b69204d0e

2
VERSION
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@ -1 +1 @@
v3.0.0-alpha-523-gf4b5d5f24
v3.0.0-alpha-556-gf379aecd8

1
examples/SpectralMethod/Polycrystal/shearXY.load
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@ -1 +0,0 @@
fdot 0 0 0 1e-3 0 0 0 0 0 stress * * * * * * * * * time 60 incs 120 freq 20

9
examples/SpectralMethod/Polycrystal/shearXY.yaml Normal file
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@ -0,0 +1,9 @@
step:
- mech:
dot_F: [0, 0, 0,
1e-3, 0, 0,
0, 0, 0]
discretization:
t: 60
N: 120
f_out: 20

1
examples/SpectralMethod/Polycrystal/shearZX.load
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@ -1 +0,0 @@
fdot 0 0 1.0e-3 0 0 0 0 0 0 stress * * * * * * * * * time 60 incs 120 freq 20

10
examples/SpectralMethod/Polycrystal/shearZX.yaml Normal file
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@ -0,0 +1,10 @@
---
step:
- mech:
dot_F: [0, 0, 1e-3,
0, 0, 0,
0, 0, 0]
discretization:
t: 60
N: 120
f_out: 20

2
examples/SpectralMethod/Polycrystal/tensionX.load
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@ -1,2 +0,0 @@
fdot 1.0e-3 0 0 0 * 0 0 0 * stress * * * * 0 * * * 0 time 10 incs 40 freq 4
fdot 1.0e-3 0 0 0 * 0 0 0 * stress * * * * 0 * * * 0 time 60 incs 60

25
examples/SpectralMethod/Polycrystal/tensionX.yaml Normal file
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@ -0,0 +1,25 @@
---
step:
- mech:
dot_F: [1.0e-3, 0, 0,
0, x, 0,
0, 0, x]
P: [x, x, x,
x, 0, x,
x, x, 0]
discretization:
t: 10
N: 40
f_out: 4
- mech:
dot_F: [1.0e-3, 0, 0,
0, x, 0,
0, 0, x]
P: [x, x, x,
x, 0, x,
x, x, 0]
discretization:
t: 60
N: 60
f_out: 4

2
src/IO.f90
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@ -491,7 +491,7 @@ subroutine IO_error(error_ID,el,ip,g,instance,ext_msg)
case (705)
msg = 'Unsupported feature'
case (706)
msg = 'Access by incorrect node type'
msg = 'Type mismatch in YAML data node'
case (707)
msg = 'Abrupt end of file'
case (708)

8
src/YAML_types.f90
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@ -311,7 +311,7 @@ function tNode_asScalar(self) result(scalar)
class is(tScalar)
scalar => self
class default
call IO_error(706,ext_msg='tNode_asScalar')
call IO_error(706,ext_msg='Expected "scalar"')
end select
end function tNode_asScalar
@ -329,7 +329,7 @@ function tNode_asList(self) result(list)
class is(tList)
list => self
class default
call IO_error(706,ext_msg='tNode_asList')
call IO_error(706,ext_msg='Expected "list"')
end select
end function tNode_asList
@ -347,7 +347,7 @@ function tNode_asDict(self) result(dict)
class is(tDict)
dict => self
class default
call IO_error(706,ext_msg='tNode_asDict')
call IO_error(706,ext_msg='Expected "dict"')
end select
end function tNode_asDict
@ -641,7 +641,7 @@ function tNode_contains(self,k) result(exists)
endif
enddo
else
call IO_error(706,ext_msg='tNode_contains')
call IO_error(706,ext_msg='Expected "list" or "dict"')
endif
end function tNode_contains

335
src/grid/DAMASK_grid.f90
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@ -24,20 +24,13 @@ program DAMASK_grid
use grid_damage_spectral
use grid_thermal_spectral
use results
implicit none
!--------------------------------------------------------------------------------------------------
! 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)
logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
integer, allocatable, dimension(:) :: chunkPos
integer :: &
N_t = 0, & !< # of time indicators found in load case file
N_n = 0, & !< # of increment specifiers found in load case file
N_def = 0 !< # of rate of deformation specifiers found in load case file
character(len=:), allocatable :: &
line
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
@ -57,26 +50,23 @@ program DAMASK_grid
stagIterate, &
cutBack = .false.
integer :: &
i, j, k, l, field, &
i, j, m, field, &
errorID = 0, &
cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
stepFraction = 0 !< fraction of current time interval
integer :: &
currentLoadcase = 0, & !< current load case
stepFraction = 0, & !< fraction of current time interval
l = 0, & !< current load case
inc, & !< current increment in current load case
totalIncsCounter = 0, & !< total # of increments
statUnit = 0, & !< file unit for statistics output
stagIter, &
nActiveFields = 0
character(len=pStringLen), dimension(:), allocatable :: fileContent
nActiveFields = 0, &
maxCutBack, & !< max number of cut backs
stagItMax !< max number of field level staggered iterations
character(len=pStringLen) :: &
incInfo, &
loadcase_string
integer :: &
maxCutBack, & !< max number of cut backs
stagItMax !< max number of field level staggered iterations
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase) :: newLoadCase
type(tSolutionState), allocatable, dimension(:) :: solres
procedure(grid_mech_spectral_basic_init), pointer :: &
mech_init
@ -88,19 +78,26 @@ program DAMASK_grid
mech_updateCoords
procedure(grid_mech_spectral_basic_restartWrite), pointer :: &
mech_restartWrite
external :: &
quit
class (tNode), pointer :: &
num_grid, &
debug_grid ! pointer to grid debug options
debug_grid, & ! pointer to grid debug options
config_load, &
load_steps, &
load_step, &
step_mech, &
step_discretization, &
step_deformation, &
step_stress
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll
call CPFEM_initAll
print'(/,a)', ' <<<+- DAMASK_spectral init -+>>>'; flush(IO_STDOUT)
print*, 'Shanthraj et al., Handbook of Mechanics of Materials, 2019'
print*, 'https://doi.org/10.1007/978-981-10-6855-3_80'
@ -110,7 +107,6 @@ program DAMASK_grid
if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1
if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1
allocate(solres(nActiveFields))
allocate(newLoadCase%ID(nActiveFields))
!-------------------------------------------------------------------------------------------------
! reading field paramters from numerics file and do sanity checks
@ -123,16 +119,16 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! assign mechanics solver depending on selected type
debug_grid => config_debug%get('grid',defaultVal=emptyList)
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
case ('Basic')
mech_init => grid_mech_spectral_basic_init
mech_forward => grid_mech_spectral_basic_forward
mech_solution => grid_mech_spectral_basic_solution
mech_updateCoords => grid_mech_spectral_basic_updateCoords
mech_restartWrite => grid_mech_spectral_basic_restartWrite
case ('Polarisation')
if(debug_grid%contains('basic')) &
call IO_warning(42, ext_msg='debug Divergence')
@ -141,7 +137,7 @@ program DAMASK_grid
mech_solution => grid_mech_spectral_polarisation_solution
mech_updateCoords => grid_mech_spectral_polarisation_updateCoords
mech_restartWrite => grid_mech_spectral_polarisation_restartWrite
case ('FEM')
if(debug_grid%contains('basic')) &
call IO_warning(42, ext_msg='debug Divergence')
@ -150,169 +146,128 @@ program DAMASK_grid
mech_solution => grid_mech_FEM_solution
mech_updateCoords => grid_mech_FEM_updateCoords
mech_restartWrite => grid_mech_FEM_restartWrite
case default
call IO_error(error_ID = 891, ext_msg = trim(num_grid%get_asString('solver')))
end select
!--------------------------------------------------------------------------------------------------
! reading information from load case file and to sanity checks
fileContent = IO_readlines(trim(interface_loadFile))
if(size(fileContent) == 0) call IO_error(307,ext_msg='No load case specified')
allocate (loadCases(0)) ! array of load cases
do currentLoadCase = 1, size(fileContent)
line = fileContent(currentLoadCase)
if (IO_isBlank(line)) cycle
chunkPos = IO_stringPos(line)
do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('l','fdot','dotf','f')
N_def = N_def + 1
case('t','time','delta')
N_t = N_t + 1
case('n','incs','increments','logincs','logincrements')
N_n = N_n + 1
end select
enddo
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check
call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(interface_loadFile)) ! error message for incomplete loadcase
newLoadCase%stress%myType='p'
! reading information from load case file and to sanity checks
config_load => YAML_parse_file(trim(interface_loadFile))
load_steps => config_load%get('step')
allocate(loadCases(load_steps%length)) ! array of load cases
do l = 1, load_steps%length
allocate(loadCases(l)%ID(nActiveFields))
field = 1
newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default
loadCases(l)%ID(field) = FIELD_MECH_ID ! mechanical active by default
thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then
field = field + 1
newLoadCase%ID(field) = FIELD_THERMAL_ID
loadCases(l)%ID(field) = FIELD_THERMAL_ID
endif thermalActive
damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then
field = field + 1
newLoadCase%ID(field) = FIELD_DAMAGE_ID
loadCases(l)%ID(field) = FIELD_DAMAGE_ID
endif damageActive
call newLoadCase%rot%fromEulers(real([0.0,0.0,0.0],pReal))
readIn: do i = 1, chunkPos(1)
select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('fdot','dotf','l','f') ! assign values for the deformation BC matrix
load_step => load_steps%get(l)
step_mech => load_step%get('mech')
loadCases(l)%stress%myType='P'
readMech: do m = 1, step_mech%length
select case (step_mech%getKey(m))
case('dot_F','L','F') ! assign values for the deformation BC matrix
loadCases(l)%deformation%myType = step_mech%getKey(m)
temp_valueVector = 0.0_pReal
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
newLoadCase%deformation%myType = 'fdot'
else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then
newLoadCase%deformation%myType = 'f'
else
newLoadCase%deformation%myType = 'l'
endif
step_deformation => step_mech%get(m)
do j = 1, 9
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a *
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
temp_maskVector(j) = step_deformation%get_asString(j) /= 'x' ! true if not a 'x'
if (temp_maskVector(j)) temp_valueVector(j) = step_deformation%get_asFloat(j) ! read value where applicable
enddo
newLoadCase%deformation%mask = transpose(reshape(temp_maskVector,[ 3,3])) ! mask in 3x3 notation
newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation
case('p','stress', 's')
loadCases(l)%deformation%mask = transpose(reshape(temp_maskVector,[ 3,3])) ! mask in 3x3 notation
loadCases(l)%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation
case('P')
temp_valueVector = 0.0_pReal
step_stress => step_mech%get(m)
do j = 1, 9
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
temp_maskVector(j) = step_stress%get_asString(j) /= 'x' ! true if not a 'x'
if (temp_maskVector(j)) temp_valueVector(j) = step_stress%get_asFloat(j) ! read value where applicable
enddo
newLoadCase%stress%mask = transpose(reshape(temp_maskVector,[ 3,3]))
newLoadCase%stress%values = math_9to33(temp_valueVector)
case('t','time','delta') ! increment time
newLoadCase%time = IO_floatValue(line,chunkPos,i+1)
case('n','incs','increments') ! number of increments
newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
case('logincs','logincrements') ! number of increments (switch to log time scaling)
newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
newLoadCase%logscale = 1
case('freq','frequency','outputfreq') ! frequency of result writings
newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1)
case('r','restart','restartwrite') ! frequency of writing restart information
newLoadCase%restartfrequency = IO_intValue(line,chunkPos,i+1)
case('guessreset','dropguessing')
newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of load case given in euler angles
temp_valueVector = 0.0_pReal
l = 1 ! assuming values given in degrees
k = 1 ! assuming keyword indicating degree/radians present
select case (IO_lc(IO_stringValue(line,chunkPos,i+1)))
case('deg','degree')
case('rad','radian') ! don't convert from degree to radian
l = 0
case default
k = 0
end select
do j = 1, 3
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
enddo
call newLoadCase%rot%fromEulers(temp_valueVector(1:3),degrees=(l==1))
case('rotation','rot') ! assign values for the rotation matrix
temp_valueVector = 0.0_pReal
do j = 1, 9
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
enddo
call newLoadCase%rot%fromMatrix(math_9to33(temp_valueVector))
loadCases(l)%stress%mask = transpose(reshape(temp_maskVector,[ 3,3]))
loadCases(l)%stress%values = math_9to33(temp_valueVector)
end select
enddo readIn
newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1) ! by default, guess from previous load case
call loadCases(l)%rot%fromAxisAngle(step_mech%get_asFloats('R', &
defaultVal = real([0.0,0.0,1.0,0.0],pReal)),degrees=.true.)
enddo readMech
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')
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')
loadCases(l)%time = step_discretization%get_asFloat('t')
loadCases(l)%incs = step_discretization%get_asFloat('N')
loadCases(l)%logscale = step_discretization%get_asBool ('log_timestep', defaultVal= .false.)
loadCases(l)%outputfrequency = step_discretization%get_asInt ('f_out', defaultVal=1)
loadCases(l)%restartfrequency = step_discretization%get_asInt ('f_restart', defaultVal=huge(0))
loadCases(l)%followFormerTrajectory = .not. (load_step%get_asBool('drop_guessing',defaultVal=.false.) .or. &
merge(.false.,.true.,l > 1)) ! do not continue to predict deformation along former trajectory
reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i0)' ) currentLoadCase
print'(/,a,i0)', ' load case: ', currentLoadCase
if (.not. newLoadCase%followFormerTrajectory) &
write (loadcase_string, '(i0)' ) l
print'(/,a,i0)', ' load case: ', l
if (.not. loadCases(l)%followFormerTrajectory) &
print*, ' drop guessing along trajectory'
if (newLoadCase%deformation%myType == 'l') then
if (loadCases(l)%deformation%myType == 'L') then
do j = 1, 3
if (any(newLoadCase%deformation%mask(j,1:3) .eqv. .true.) .and. &
any(newLoadCase%deformation%mask(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
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
enddo
print*, ' velocity gradient:'
else if (newLoadCase%deformation%myType == 'f') then
else if (loadCases(l)%deformation%myType == 'F') then
print*, ' deformation gradient at end of load case:'
else
else if (loadCases(l)%deformation%myType == 'dot_F') then
print*, ' deformation gradient rate:'
endif
do i = 1, 3; do j = 1, 3
if(newLoadCase%deformation%mask(i,j)) then
write(IO_STDOUT,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
if(loadCases(l)%deformation%mask(i,j)) then
write(IO_STDOUT,'(2x,f12.7)',advance='no') loadCases(l)%deformation%values(i,j)
else
write(IO_STDOUT,'(2x,12a)',advance='no') ' * '
write(IO_STDOUT,'(2x,12a)',advance='no') ' x '
endif
enddo; write(IO_STDOUT,'(/)',advance='no')
enddo
if (any(newLoadCase%stress%mask .eqv. newLoadCase%deformation%mask)) errorID = 831 ! exclusive or masking only
if (any(newLoadCase%stress%mask .and. transpose(newLoadCase%stress%mask) .and. (math_I3<1))) &
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))) &
errorID = 838 ! no rotation is allowed by stress BC
print*, ' stress / GPa:'
do i = 1, 3; do j = 1, 3
if(newLoadCase%stress%mask(i,j)) then
write(IO_STDOUT,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
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
else
write(IO_STDOUT,'(2x,12a)',advance='no') ' * '
write(IO_STDOUT,'(2x,12a)',advance='no') ' x '
endif
enddo; write(IO_STDOUT,'(/)',advance='no')
enddo
if (any(abs(matmul(newLoadCase%rot%asMatrix(), &
transpose(newLoadCase%rot%asMatrix()))-math_I3) > &
reshape(spread(tol_math_check,1,9),[ 3,3]))) errorID = 846 ! given rotation matrix contains strain
if (any(dNeq(newLoadCase%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:',&
transpose(newLoadCase%rot%asMatrix())
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
print'(a,f0.3)', ' time: ', newLoadCase%time
if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
print'(a,i0)', ' increments: ', newLoadCase%incs
if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
print'(a,i0)', ' output frequency: ', newLoadCase%outputfrequency
if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (newLoadCase%restartfrequency < huge(0)) &
print'(a,i0)', ' restart frequency: ', newLoadCase%restartfrequency
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)%incs < 1) errorID = 835 ! non-positive incs count
print'(a,i0)', ' increments: ', loadCases(l)%incs
if (loadCases(l)%outputfrequency < 1) errorID = 836 ! non-positive result frequency
print'(a,i0)', ' output frequency: ', loadCases(l)%outputfrequency
if (loadCases(l)%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (loadCases(l)%restartfrequency < huge(0)) &
print'(a,i0)', ' restart frequency: ', loadCases(l)%restartfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
endif reportAndCheck
loadCases = [loadCases,newLoadCase] ! load case is ok, append it
enddo
!--------------------------------------------------------------------------------------------------
@ -322,13 +277,13 @@ program DAMASK_grid
select case (loadCases(1)%ID(field))
case(FIELD_MECH_ID)
call mech_init
case(FIELD_THERMAL_ID)
call grid_thermal_spectral_init
case(FIELD_DAMAGE_ID)
call grid_damage_spectral_init
end select
enddo
@ -345,45 +300,45 @@ program DAMASK_grid
'.sta',form='FORMATTED', position='APPEND', status='OLD')
endif writeHeader
endif
writeUndeformed: if (interface_restartInc < 1) then
print'(/,a)', ' ... writing initial configuration to file ........................'
call CPFEM_results(0,0.0_pReal)
endif writeUndeformed
loadCaseLooping: do currentLoadCase = 1, size(loadCases)
loadCaseLooping: do l = 1, size(loadCases)
time0 = time ! load case start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(currentLoadCase)%incs
guess = loadCases(l)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(l)%incs
totalIncsCounter = totalIncsCounter + 1
!--------------------------------------------------------------------------------------------------
! forwarding time
timeIncOld = timeinc ! last timeinc that brought former inc to an end
if (loadCases(currentLoadCase)%logscale == 0) then ! linear scale
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
if (.not. loadCases(l)%logscale) then ! linear scale
timeinc = loadCases(l)%time/real(loadCases(l)%incs,pReal)
else
if (currentLoadCase == 1) then ! 1st load case of logarithmic scale
if (l == 1) then ! 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real(max(inc-1,1)-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st load case of logarithmic scale
timeinc = time0 * &
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal))&
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1 ,pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal)))
( (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
timeinc = timeinc * real(subStepFactor,pReal)**real(-cutBackLevel,pReal) ! depending on cut back level, decrease time step
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
time = time + timeinc ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
remainingLoadCaseTime = loadCases(l)%time+time0 - time
time = time + timeinc ! forward target time
stepFraction = stepFraction + 1 ! count step
@ -392,9 +347,9 @@ program DAMASK_grid
print'(/,a)', ' ###########################################################################'
print'(1x,a,es12.5,6(a,i0))', &
'Time', time, &
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
's: Increment ', inc,'/',loadCases(l)%incs,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases)
' of load case ', l,'/',size(loadCases)
write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-', stepFraction,'/',subStepFactor**cutBackLevel
@ -403,14 +358,14 @@ program DAMASK_grid
!--------------------------------------------------------------------------------------------------
! forward fields
do field = 1, nActiveFields
select case(loadCases(currentLoadCase)%ID(field))
select case(loadCases(l)%ID(field))
case(FIELD_MECH_ID)
call mech_forward (&
cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
deformation_BC = loadCases(currentLoadCase)%deformation, &
stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rot)
deformation_BC = loadCases(l)%deformation, &
stress_BC = loadCases(l)%stress, &
rotation_BC = loadCases(l)%rot)
case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward(cutBack)
case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack)
end select
@ -423,7 +378,7 @@ program DAMASK_grid
stagIterate = .true.
do while (stagIterate)
do field = 1, nActiveFields
select case(loadCases(currentLoadCase)%ID(field))
select case(loadCases(l)%ID(field))
case(FIELD_MECH_ID)
solres(field) = mech_solution(incInfo)
case(FIELD_THERMAL_ID)
@ -431,9 +386,9 @@ program DAMASK_grid
case(FIELD_DAMAGE_ID)
solres(field) = grid_damage_spectral_solution(timeinc)
end select
if (.not. solres(field)%converged) exit ! no solution found
enddo
stagIter = stagIter + 1
stagIterate = stagIter < stagItMax &
@ -467,38 +422,38 @@ program DAMASK_grid
if (worldrank == 0) close(statUnit)
call quit(0) ! quit
endif
enddo subStepLooping
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' converged'
else
print'(/,a,i0,a)', ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(IO_STDOUT)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
if (mod(inc,loadCases(l)%outputFrequency) == 0) then ! at output frequency
print'(1/,a)', ' ... writing results to file ......................................'
flush(IO_STDOUT)
call CPFEM_results(totalIncsCounter,time)
endif
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then
if (mod(inc,loadCases(l)%restartFrequency) == 0) then
call mech_restartWrite
call CPFEM_restartWrite
endif
endif skipping
enddo incLooping
enddo loadCaseLooping
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
print'(/,a)', ' ###########################################################################'
if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;)
end program DAMASK_grid

10
src/grid/grid_mech_FEM.f90
View File

@ -342,13 +342,13 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
!-----------------------------------------------------------------------------------------------
! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
if (deformation_BC%myType=='L') then ! calculate F_aimDot from given L and current F
F_aimDot = F_aimDot &
+ merge(matmul(deformation_BC%values, F_aim_lastInc),.0_pReal,deformation_BC%mask)
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
elseif(deformation_BC%myType=='dot_F') then ! F_aimDot is prescribed
F_aimDot = F_aimDot &
+ merge(deformation_BC%values,.0_pReal,deformation_BC%mask)
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
elseif (deformation_BC%myType=='F') then ! aim at end of load case is prescribed
F_aimDot = F_aimDot &
+ merge((deformation_BC%values - F_aim_lastInc)/loadCaseTime,.0_pReal,deformation_BC%mask)
endif
@ -370,9 +370,9 @@ subroutine grid_mech_FEM_forward(cutBack,guess,timeinc,timeinc_old,loadCaseTime,
!--------------------------------------------------------------------------------------------------
! update average and local deformation gradients
F_aim = F_aim_lastInc + F_aimDot * timeinc
if (stress_BC%myType=='p') then
if (stress_BC%myType=='P') then
P_aim = P_aim + merge((stress_BC%values - P_aim)/loadCaseTime*timeinc,.0_pReal,stress_BC%mask)
elseif (stress_BC%myType=='pdot') then !UNTESTED
elseif (stress_BC%myType=='dot_P') then !UNTESTED
P_aim = P_aim + merge(stress_BC%values*timeinc,.0_pReal,stress_BC%mask)
endif

12
src/grid/grid_mech_spectral_basic.f90
View File

@ -308,13 +308,13 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
!-----------------------------------------------------------------------------------------------
! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
if (deformation_BC%myType=='L') then ! calculate F_aimDot from given L and current F
F_aimDot = F_aimDot &
+ merge(matmul(deformation_BC%values, F_aim_lastInc),.0_pReal,deformation_BC%mask)
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
elseif(deformation_BC%myType=='dot_F') then ! F_aimDot is prescribed
F_aimDot = F_aimDot &
+ merge(deformation_BC%values,.0_pReal,deformation_BC%mask)
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
elseif (deformation_BC%myType=='F') then ! aim at end of load case is prescribed
F_aimDot = F_aimDot &
+ merge((deformation_BC%values - F_aim_lastInc)/loadCaseTime,.0_pReal,deformation_BC%mask)
endif
@ -330,13 +330,13 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
!--------------------------------------------------------------------------------------------------
! update average and local deformation gradients
F_aim = F_aim_lastInc + F_aimDot * timeinc
if (stress_BC%myType=='p') then
if (stress_BC%myType=='P') then
P_aim = P_aim + merge((stress_BC%values - P_aim)/loadCaseTime*timeinc,.0_pReal,stress_BC%mask)
elseif (stress_BC%myType=='pdot') then !UNTESTED
elseif (stress_BC%myType=='dot_P') then !UNTESTED
P_aim = P_aim + merge(stress_BC%values*timeinc,.0_pReal,stress_BC%mask)
endif
F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
F = reshape(utilities_forwardField(timeinc,F_lastInc,Fdot, & ! estimate of F at end of time+timeinc that matches rotated F_aim on average
rotation_BC%rotate(F_aim,active=.true.)),[9,grid(1),grid(2),grid3])
call DMDAVecRestoreArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr)

10
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -344,13 +344,13 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
!-----------------------------------------------------------------------------------------------
! calculate rate for aim
if (deformation_BC%myType=='l') then ! calculate F_aimDot from given L and current F
if (deformation_BC%myType=='L') then ! calculate F_aimDot from given L and current F
F_aimDot = F_aimDot &
+ merge(matmul(deformation_BC%values, F_aim_lastInc),.0_pReal,deformation_BC%mask)
elseif(deformation_BC%myType=='fdot') then ! F_aimDot is prescribed
elseif(deformation_BC%myType=='dot_F') then ! F_aimDot is prescribed
F_aimDot = F_aimDot &
+ merge(deformation_BC%values,.0_pReal,deformation_BC%mask)
elseif (deformation_BC%myType=='f') then ! aim at end of load case is prescribed
elseif (deformation_BC%myType=='F') then ! aim at end of load case is prescribed
F_aimDot = F_aimDot &
+ merge((deformation_BC%values - F_aim_lastInc)/loadCaseTime,.0_pReal,deformation_BC%mask)
endif
@ -370,9 +370,9 @@ subroutine grid_mech_spectral_polarisation_forward(cutBack,guess,timeinc,timeinc
!--------------------------------------------------------------------------------------------------
! update average and local deformation gradients
F_aim = F_aim_lastInc + F_aimDot * timeinc
if (stress_BC%myType=='p') then
if (stress_BC%myType=='P') then
P_aim = P_aim + merge((stress_BC%values - P_aim)/loadCaseTime*timeinc,.0_pReal,stress_BC%mask)
elseif (stress_BC%myType=='pdot') then !UNTESTED
elseif (stress_BC%myType=='dot_P') then !UNTESTED
P_aim = P_aim + merge(stress_BC%values*timeinc,.0_pReal,stress_BC%mask)
endif

20
src/grid/spectral_utilities.f90
View File

@ -82,21 +82,21 @@ module spectral_utilities
end type tSolutionState
type, public :: tBoundaryCondition !< set of parameters defining a boundary condition
real(pReal), dimension(3,3) :: values = 0.0_pReal
logical, dimension(3,3) :: mask = .false.
character(len=pStringLen) :: myType = 'None'
real(pReal), dimension(3,3) :: values = 0.0_pReal
logical, dimension(3,3) :: mask = .false.
character(len=:), allocatable :: myType
end type tBoundaryCondition
type, public :: tLoadCase
type(rotation) :: rot !< rotation of BC
type(tBoundaryCondition) :: stress, & !< stress BC
deformation !< deformation BC (Fdot or L)
real(pReal) :: time = 0.0_pReal !< length of increment
integer :: incs = 0, & !< number of increments
outputfrequency = 1, & !< frequency of result writes
restartfrequency = huge(0), & !< frequency of restart writes
logscale = 0 !< linear/logarithmic time inc flag
logical :: followFormerTrajectory = .true. !< follow trajectory of former loadcase
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