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DAMASK_EICMD
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first changes for YAML mesh load case, and simplification of code

This commit is contained in:
Sharan Roongta 2023-12-15 16:00:02 +01:00
parent 84af516cdb
commit 9a1cf1a04e
3 changed files with 115 additions and 143 deletions
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212
src/mesh/DAMASK_mesh.f90
View File

@ -23,12 +23,12 @@ program DAMASK_mesh
implicit none(type,external)
type :: tLoadCase
real(pREAL) :: time = 0.0_pREAL !< length of increment
integer :: incs = 0, & !< number of increments
outputfrequency = 1 !< frequency of result writes
logical :: followFormerTrajectory = .true. !< follow trajectory of former loadcase
integer, allocatable, dimension(:) :: faceID
type(tFieldBC), allocatable, dimension(:) :: fieldBC
real(pREAL) :: t = 0.0_pREAL !< length of increment
integer :: N = 0, & !< number of increments
f_out = 1 !< frequency of result writes
logical :: estimate_rate = .true. !< follow trajectory of former loadcase
integer, allocatable, dimension(:) :: tag
type(tMechBC) :: mechBC
end type tLoadCase
!--------------------------------------------------------------------------------------------------
@ -55,6 +55,7 @@ program DAMASK_mesh
integer :: &
l, &
i, &
m, &
errorID, &
cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
stepFraction = 0, & !< fraction of current time interval
@ -67,8 +68,16 @@ program DAMASK_mesh
component
type(tDict), pointer :: &
num_solver, &
num_mesh
character(len=pSTRLEN), dimension(:), allocatable :: fileContent
num_mesh, &
load, &
load_step, &
step_bc, &
mech_BC, &
step_discretization
type(tList), pointer :: &
load_steps, &
mech_u, &
step_mech
character(len=pSTRLEN) :: &
incInfo, &
loadcase_string
@ -83,6 +92,9 @@ program DAMASK_mesh
integer(kind(COMPONENT_UNDEFINED_ID)) :: ID
external :: &
quit
character(len=:), allocatable :: &
fileContent, fname
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
@ -104,135 +116,101 @@ program DAMASK_mesh
CHKERRA(err_PETSc)
allocate(solres(1))
!--------------------------------------------------------------------------------------------------
! reading basic information from load case file and allocate data structure containing load cases
fileContent = IO_readlines(trim(CLI_loadFile))
do l = 1, size(fileContent)
line = fileContent(l)
if (IO_isBlank(line)) cycle ! skip empty lines
if (worldrank == 0) then
fileContent = IO_read(CLI_loadFile)
fname = CLI_loadFile
if (scan(fname,'/') /= 0) fname = fname(scan(fname,'/',.true.)+1:)
call result_openJobFile(parallel=.false.)
call result_addSetupFile(fileContent,fname,'load case definition (mesh solver)')
call result_closeJobFile()
end if
chunkPos = IO_strPos(line)
do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase
select case (IO_strValue(line,chunkPos,i))
case('$Loadcase')
N_def = N_def + 1
end select
end do ! count all identifiers to allocate memory and do sanity check
end do
call parallelization_bcast_str(fileContent)
load => YAML_parse_str_asDict(fileContent)
load_steps => load%get_list('loadstep')
if (N_def < 1) call IO_error(error_ID = 837)
allocate(loadCases(N_def))
allocate(loadCases(load_steps%length))
do i = 1, size(loadCases)
allocate(loadCases(i)%fieldBC(1))
loadCases(i)%fieldBC(1)%ID = FIELD_MECH_ID
end do
do i = 1, size(loadCases)
loadCases(i)%fieldBC(1)%nComponents = dimPlex !< X, Y (, Z) displacements
allocate(loadCases(i)%fieldBC(1)%componentBC(loadCases(i)%fieldBC(1)%nComponents))
do component = 1, loadCases(i)%fieldBC(1)%nComponents
do l = 1, load_steps%length
load_step => load_steps%get_dict(l)
step_bc => load_step%get_dict('boundary_conditions')
step_mech => step_bc%get_list('mechanical')
loadCases(l)%mechBC%nComponents = dimPlex !< X, Y (, Z) displacements
allocate(loadCases(l)%mechBC%componentBC(dimPlex))
do component = 1, dimPlex
select case (component)
case (1)
loadCases(i)%fieldBC(1)%componentBC(component)%ID = COMPONENT_MECH_X_ID
loadCases(l)%mechBC%componentBC(component)%ID = COMPONENT_MECH_X_ID
case (2)
loadCases(i)%fieldBC(1)%componentBC(component)%ID = COMPONENT_MECH_Y_ID
loadCases(l)%mechBC%componentBC(component)%ID = COMPONENT_MECH_Y_ID
case (3)
loadCases(i)%fieldBC(1)%componentBC(component)%ID = COMPONENT_MECH_Z_ID
loadCases(l)%mechBC%componentBC(component)%ID = COMPONENT_MECH_Z_ID
end select
end do
do component = 1, loadCases(i)%fieldBC(1)%nComponents
allocate(loadCases(i)%fieldBC(1)%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pREAL)
allocate(loadCases(i)%fieldBC(1)%componentBC(component)%Mask (mesh_Nboundaries), source = .false.)
do component = 1, dimPlex
allocate(loadCases(l)%mechBC%componentBC(component)%Value(mesh_Nboundaries), source = 0.0_pREAL)
allocate(loadCases(l)%mechBC%componentBC(component)%Mask (mesh_Nboundaries), source = .false.)
end do
end do
!--------------------------------------------------------------------------------------------------
! reading the load case and assign values to the allocated data structure
do l = 1, size(fileContent)
line = fileContent(l)
if (IO_isBlank(line)) cycle ! skip empty lines
chunkPos = IO_strPos(line)
do i = 1, chunkPos(1)
select case (IO_strValue(line,chunkPos,i))
!--------------------------------------------------------------------------------------------------
! loadcase information
case('$Loadcase')
currentLoadCase = IO_intValue(line,chunkPos,i+1)
case('Face')
currentFace = IO_intValue(line,chunkPos,i+1)
currentFaceSet = -1
do faceSet = 1, mesh_Nboundaries
if (mesh_boundaries(faceSet) == currentFace) currentFaceSet = faceSet
end do
if (currentFaceSet < 0) call IO_error(error_ID = 837, ext_msg = 'invalid BC')
case('t')
loadCases(currentLoadCase)%time = IO_realValue(line,chunkPos,i+1)
case('N')
loadCases(currentLoadCase)%incs = IO_intValue(line,chunkPos,i+1)
case('f_out')
loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,chunkPos,i+1)
case('estimate_rate')
loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
!--------------------------------------------------------------------------------------------------
! boundary condition information
case('X','Y','Z')
select case(IO_strValue(line,chunkPos,i))
case('X')
ID = COMPONENT_MECH_X_ID
case('Y')
ID = COMPONENT_MECH_Y_ID
case('Z')
ID = COMPONENT_MECH_Z_ID
end select
do component = 1, loadcases(currentLoadCase)%fieldBC(1)%nComponents
if (loadCases(currentLoadCase)%fieldBC(1)%componentBC(component)%ID == ID) then
loadCases(currentLoadCase)%fieldBC(1)%componentBC(component)%Mask (currentFaceSet) = &
.true.
loadCases(currentLoadCase)%fieldBC(1)%componentBC(component)%Value(currentFaceSet) = &
IO_realValue(line,chunkPos,i+1)
end if
end do
end select
do m = 1, step_mech%length
mech_BC => step_mech%get_dict(m)
currentFaceSet = -1
do faceSet = 1, mesh_Nboundaries
if (mesh_boundaries(faceSet) == mech_BC%get_asInt('tag')) currentFaceSet = faceSet
end do
if (currentFaceSet < 0) call IO_error(error_ID = 837, ext_msg = 'invalid BC')
do component = 1, dimPlex
mech_u => mech_BC%get_list('u')
if (mech_u%get_asStr(component) /= 'x') then
loadCases(l)%mechBC%componentBC(component)%Mask(currentFaceSet) = .true.
loadCases(l)%mechBC%componentBC(component)%Value(currentFaceSet) = mech_u%get_asReal(component)
end if
end do
end do
step_discretization => load_step%get_dict('discretization')
loadCases(l)%t = step_discretization%get_asReal('t')
loadCases(l)%N = step_discretization%get_asInt ('N')
if (load_step%get_asStr('f_out',defaultVal='n/a') == 'none') then
loadCases(l)%f_out = huge(0)
else
loadCases(l)%f_out = load_step%get_asInt('f_out', defaultVal=1)
end if
loadCases(l)%estimate_rate = (load_step%get_asBool('estimate_rate',defaultVal=.true.) .and. l>1)
end do
!--------------------------------------------------------------------------------------------------
! consistency checks and output of load case
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
errorID = 0
checkLoadcases: do currentLoadCase = 1, size(loadCases)
write (loadcase_string, '(i0)' ) currentLoadCase
print'(/,1x,a,1x,i0)', 'load case:', currentLoadCase
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
checkLoadcases: do l = 1, load_steps%length
write (loadcase_string, '(i0)' ) l
print'(/,1x,a,1x,i0)', 'load case:', l
if (.not. loadCases(l)%estimate_rate) &
print'(2x,a)', 'drop guessing along trajectory'
print'(2x,a)', 'Field '//trim(FIELD_MECH_label)
do faceSet = 1, mesh_Nboundaries
do component = 1, loadCases(currentLoadCase)%fieldBC(1)%nComponents
if (loadCases(currentLoadCase)%fieldBC(1)%componentBC(component)%Mask(faceSet)) &
do component = 1, loadCases(l)%mechBC%nComponents
if (loadCases(l)%mechBC%componentBC(component)%Mask(faceSet)) &
print'(a,i2,a,i2,a,f12.7)', &
' Face ', mesh_boundaries(faceSet), &
' Component ', component, &
' Value ', loadCases(currentLoadCase)%fieldBC(1)%componentBC(component)%Value(faceSet)
' Value ', loadCases(l)%mechBC%componentBC(component)%Value(faceSet)
end do
end do
print'(2x,a,f12.6)', 'time: ', loadCases(currentLoadCase)%time
if (loadCases(currentLoadCase)%incs < 1) errorID = 835 ! non-positive incs count
print'(2x,a,i5)', 'increments: ', loadCases(currentLoadCase)%incs
if (loadCases(currentLoadCase)%outputfrequency < 1) errorID = 836 ! non-positive result frequency
print'(2x,a,f12.6)', 'time: ', loadCases(l)%t
if (loadCases(l)%N < 1) errorID = 835 ! non-positive incs count
print'(2x,a,i5)', 'increments: ', loadCases(l)%N
if (loadCases(l)%f_out < 1) errorID = 836 ! non-positive result frequency
print'(2x,a,i5)', 'output frequency: ', &
loadCases(currentLoadCase)%outputfrequency
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
loadCases(l)%f_out
if (errorID > 0) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
end do checkLoadcases
!--------------------------------------------------------------------------------------------------
! doing initialization depending on active solvers
call FEM_Utilities_init(num_mesh)
call FEM_mechanical_init(loadCases(1)%fieldBC(1),num_mesh)
call FEM_mechanical_init(loadCases(1)%mechBC,num_mesh)
call config_numerics_deallocate()
if (worldrank == 0) then
@ -244,22 +222,22 @@ program DAMASK_mesh
flush(IO_STDOUT)
call materialpoint_result(0,0.0_pREAL)
loadCaseLooping: do currentLoadCase = 1, size(loadCases)
time0 = time ! load case start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
loadCaseLooping: do l = 1, load_steps%length
time0 = time ! load case start time
guess = loadCases(l)%estimate_rate ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(currentLoadCase)%incs
incLooping: do inc = 1, loadCases(l)%N
totalIncsCounter = totalIncsCounter + 1
!--------------------------------------------------------------------------------------------------
! forwarding time
timeIncOld = timeinc ! last timeinc that brought former inc to an end
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pREAL)
timeinc = loadCases(l)%t/real(loadCases(l)%N,pREAL)
timeinc = timeinc * real(subStepFactor,pREAL)**real(-cutBackLevel,pREAL) ! depending on cut back level, decrease time step
stepFraction = 0 ! fraction scaled by stepFactor**cutLevel
subStepLooping: do while (stepFraction < subStepFactor**cutBackLevel)
remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
remainingLoadCaseTime = loadCases(l)%t + time0 - time
time = time + timeinc ! forward target time
stepFraction = stepFraction + 1 ! count step
@ -268,22 +246,22 @@ program DAMASK_mesh
print'(/,1x,a)', '###########################################################################'
print'(1x,a,es12.5,6(a,i0))',&
'Time', time, &
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
's: Increment ', inc, '/', loadCases(l)%N,&
'-', stepFraction, '/', subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases)
' of load case ', l,'/',load_steps%length
write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'Increment ',totalIncsCounter,'/',sum(loadCases%N),&
'-',stepFraction, '/', subStepFactor**cutBackLevel
flush(IO_STDOUT)
call FEM_mechanical_forward(guess,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(1))
call FEM_mechanical_forward(guess,timeinc,timeIncOld,loadCases(l)%mechBC)
!--------------------------------------------------------------------------------------------------
! solve fields
stagIter = 0
stagIterate = .true.
do while (stagIterate)
solres(1) = FEM_mechanical_solution(incInfo,timeinc,timeIncOld,loadCases(currentLoadCase)%fieldBC(1))
solres(1) = FEM_mechanical_solution(incInfo,timeinc,timeIncOld,loadCases(l)%mechBC)
if (.not. solres(1)%converged) exit
stagIter = stagIter + 1
@ -325,7 +303,7 @@ program DAMASK_mesh
print'(/,1x,a,1x,i0,1x,a)', 'increment', totalIncsCounter, 'NOT converged'
end if; flush(IO_STDOUT)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
if (mod(inc,loadCases(l)%f_out) == 0) then ! at output frequency
print'(/,1x,a)', '... saving results ........................................................'
call FEM_mechanical_updateCoords()
call materialpoint_result(totalIncsCounter,time)

10
src/mesh/FEM_utilities.f90
View File

@ -38,10 +38,6 @@ module FEM_utilities
character(len=*), parameter, public :: &
FIELD_MECH_label = 'mechanical'
enum, bind(c); enumerator :: &
FIELD_UNDEFINED_ID, &
FIELD_MECH_ID
end enum
enum, bind(c); enumerator :: &
COMPONENT_UNDEFINED_ID, &
COMPONENT_MECH_X_ID, &
@ -64,11 +60,10 @@ module FEM_utilities
logical, allocatable, dimension(:) :: Mask
end type tComponentBC
type, public :: tFieldBC
integer(kind(FIELD_UNDEFINED_ID)) :: ID
type, public :: tMechBC
integer :: nComponents = 0
type(tComponentBC), allocatable, dimension(:) :: componentBC
end type tFieldBC
end type tMechBC
external :: & ! ToDo: write interfaces
PetscSectionGetFieldComponents, &
@ -79,7 +74,6 @@ module FEM_utilities
FEM_utilities_init, &
utilities_constitutiveResponse, &
utilities_projectBCValues, &
FIELD_MECH_ID, &
COMPONENT_UNDEFINED_ID, &
COMPONENT_MECH_X_ID, &
COMPONENT_MECH_Y_ID, &

36
src/mesh/mesh_mech_FEM.f90
View File

@ -36,7 +36,7 @@ module mesh_mechanical_FEM
!--------------------------------------------------------------------------------------------------
! derived types
type tSolutionParams
type(tFieldBC) :: fieldBC
type(tMechBC) :: mechBC
real(pREAL) :: timeinc
end type tSolutionParams
@ -97,9 +97,9 @@ contains
!--------------------------------------------------------------------------------------------------
!> @brief allocates all neccessary fields and fills them with data
!--------------------------------------------------------------------------------------------------
subroutine FEM_mechanical_init(fieldBC,num_mesh)
subroutine FEM_mechanical_init(mechBC,num_mesh)
type(tFieldBC), intent(in) :: fieldBC
type(tMechBC), intent(in) :: mechBC
type(tDict), pointer, intent(in) :: num_mesh
DM :: mechanical_mesh
@ -209,14 +209,14 @@ subroutine FEM_mechanical_init(fieldBC,num_mesh)
end do
numBC = 0
do field = 1, dimPlex; do faceSet = 1, mesh_Nboundaries
if (fieldBC%componentBC(field)%Mask(faceSet)) numBC = numBC + 1
if (mechBC%componentBC(field)%Mask(faceSet)) numBC = numBC + 1
end do; end do
allocate(pbcField(numBC), source=0_pPETSCINT)
allocate(pbcComps(numBC))
allocate(pbcPoints(numBC))
numBC = 0
do field = 1, dimPlex; do faceSet = 1, mesh_Nboundaries
if (fieldBC%componentBC(field)%Mask(faceSet)) then
if (mechBC%componentBC(field)%Mask(faceSet)) then
numBC = numBC + 1
call ISCreateGeneral(PETSC_COMM_WORLD,1_pPETSCINT,[field-1],PETSC_COPY_VALUES,pbcComps(numBC),err_PETSc)
CHKERRQ(err_PETSc)
@ -320,15 +320,15 @@ end subroutine FEM_mechanical_init
!> @brief solution for the FEM load step
!--------------------------------------------------------------------------------------------------
type(tSolutionState) function FEM_mechanical_solution( &
incInfoIn,timeinc,timeinc_old,fieldBC)
incInfoIn,timeinc,timeinc_old,mechBC)
!--------------------------------------------------------------------------------------------------
! input data for solution
real(pREAL), intent(in) :: &
timeinc, & !< increment in time for current solution
timeinc_old !< increment in time of last increment
type(tFieldBC), intent(in) :: &
fieldBC
type(tMechBC), intent(in) :: &
mechBC
character(len=*), intent(in) :: &
incInfoIn
@ -340,7 +340,7 @@ type(tSolutionState) function FEM_mechanical_solution( &
!--------------------------------------------------------------------------------------------------
! set module wide availabe data
params%timeinc = timeinc
params%fieldBC = fieldBC
params%mechBC = mechBC
call SNESSolve(mechanical_snes,PETSC_NULL_VEC,solution,err_PETSc) ! solve mechanical_snes based on solution guess (result in solution)
CHKERRQ(err_PETSc)
@ -407,13 +407,13 @@ subroutine FEM_mechanical_formResidual(dm_local,xx_local,f_local,dummy,err_PETSc
call VecWAXPY(x_local,1.0_pREAL,xx_local,solution_local,err_PETSc)
CHKERRQ(err_PETSc)
do field = 1_pPETSCINT, dimPlex; do face = 1_pPETSCINT, mesh_Nboundaries
if (params%fieldBC%componentBC(field)%Mask(face)) then
if (params%mechBC%componentBC(field)%Mask(face)) then
call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,err_PETSc)
if (bcSize > 0) then
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, &
0.0_pREAL,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
0.0_pREAL,params%mechBC%componentBC(field)%Value(face),params%timeinc)
call ISDestroy(bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
end if
@ -557,13 +557,13 @@ subroutine FEM_mechanical_formJacobian(dm_local,xx_local,Jac_pre,Jac,dummy,err_P
call VecWAXPY(x_local,1.0_pREAL,xx_local,solution_local,err_PETSc)
CHKERRQ(err_PETSc)
do field = 1, dimPlex; do face = 1, mesh_Nboundaries
if (params%fieldBC%componentBC(field)%Mask(face)) then
if (params%mechBC%componentBC(field)%Mask(face)) then
call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,err_PETSc)
if (bcSize > 0) then
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
call utilities_projectBCValues(x_local,section,0_pPETSCINT,field-1,bcPoints, &
0.0_pREAL,params%fieldBC%componentBC(field)%Value(face),params%timeinc)
0.0_pREAL,params%mechBC%componentBC(field)%Value(face),params%timeinc)
call ISDestroy(bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
end if
@ -665,10 +665,10 @@ end subroutine FEM_mechanical_formJacobian
!--------------------------------------------------------------------------------------------------
!> @brief forwarding routine
!--------------------------------------------------------------------------------------------------
subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,mechBC)
type(tFieldBC), intent(in) :: &
fieldBC
type(tMechBC), intent(in) :: &
mechBC
real(pREAL), intent(in) :: &
timeinc_old, &
timeinc
@ -702,13 +702,13 @@ subroutine FEM_mechanical_forward(guess,timeinc,timeinc_old,fieldBC)
call VecAXPY(solution_local,1.0_pREAL,x_local,err_PETSc)
CHKERRQ(err_PETSc)
do field = 1, dimPlex; do face = 1, mesh_Nboundaries
if (fieldBC%componentBC(field)%Mask(face)) then
if (mechBC%componentBC(field)%Mask(face)) then
call DMGetStratumSize(dm_local,'Face Sets',mesh_boundaries(face),bcSize,err_PETSc)
if (bcSize > 0) then
call DMGetStratumIS(dm_local,'Face Sets',mesh_boundaries(face),bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
call utilities_projectBCValues(solution_local,section,0_pPETSCINT,field-1,bcPoints, &
0.0_pREAL,fieldBC%componentBC(field)%Value(face),timeinc_old)
0.0_pREAL,mechBC%componentBC(field)%Value(face),timeinc_old)
call ISDestroy(bcPoints,err_PETSc)
CHKERRQ(err_PETSc)
end if