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DAMASK_EICMD
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used for both grid & mesh; polishing

This commit is contained in:
Sharan Roongta 2020-06-17 23:00:03 +02:00
parent ac2539b305
commit 0fc482585b
10 changed files with 525 additions and 497 deletions
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PRIVATE

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Subproject commit 017b38d79deb4720368927b8a884527e2b331c23 Subproject commit bcc65dbb3557d6f154eb63b4651909a9e8fd7bb0

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src/grid/DAMASK_grid.f90
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!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
program DAMASK_grid program DAMASK_grid
#include <petsc/finclude/petscsys.h> #include <petsc/finclude/petscsys.h>
use PETScsys use PETScsys
use prec use prec
use DAMASK_interface use DAMASK_interface
use IO use IO
use config use config
use debug use debug
use math use math
use CPFEM2 use CPFEM2
use material use material
use spectral_utilities use spectral_utilities
use grid_mech_spectral_basic use grid_mech_spectral_basic
use grid_mech_spectral_polarisation use grid_mech_spectral_polarisation
use grid_mech_FEM use grid_mech_FEM
use grid_damage_spectral use grid_damage_spectral
use grid_thermal_spectral use grid_thermal_spectral
use results use results
use YAML_types use YAML_types
implicit none implicit none
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! 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)
logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
integer, allocatable, dimension(:) :: chunkPos integer, allocatable, dimension(:) :: chunkPos
integer :: & integer :: &
N_t = 0, & !< # of time indicators found in load case file N_t = 0, & !< # of time indicators found in load case file
N_n = 0, & !< # of increment specifiers 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 N_def = 0 !< # of rate of deformation specifiers found in load case file
character(len=pStringLen) :: & character(len=pStringLen) :: &
line line
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! loop variables, convergence etc. ! loop variables, convergence etc.
real(pReal), dimension(3,3), parameter :: & real(pReal), dimension(3,3), parameter :: &
ones = 1.0_pReal, & ones = 1.0_pReal, &
zeros = 0.0_pReal zeros = 0.0_pReal
integer, parameter :: & integer, parameter :: &
subStepFactor = 2 !< for each substep, divide the last time increment by 2.0 subStepFactor = 2 !< for each substep, divide the last time increment by 2.0
real(pReal) :: & real(pReal) :: &
time = 0.0_pReal, & !< elapsed time time = 0.0_pReal, & !< elapsed time
time0 = 0.0_pReal, & !< begin of interval time0 = 0.0_pReal, & !< begin of interval
timeinc = 1.0_pReal, & !< current time interval timeinc = 1.0_pReal, & !< current time interval
timeIncOld = 0.0_pReal, & !< previous time interval timeIncOld = 0.0_pReal, & !< previous time interval
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
logical :: & logical :: &
guess, & !< guess along former trajectory guess, & !< guess along former trajectory
stagIterate, & stagIterate, &
cutBack = .false. cutBack = .false.
integer :: & integer :: &
i, j, k, l, field, & i, j, k, l, field, &
errorID = 0, & errorID = 0, &
cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$ cutBackLevel = 0, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
maxCutBack, & !< max number of cut backs maxCutBack, & !< max number of cut backs
stepFraction = 0 !< fraction of current time interval stepFraction = 0 !< fraction of current time interval
integer :: & integer :: &
currentLoadcase = 0, & !< current load case currentLoadcase = 0, & !< current load case
inc, & !< current increment in current load case inc, & !< current increment in current load case
totalIncsCounter = 0, & !< total # of increments totalIncsCounter = 0, & !< total # of increments
statUnit = 0, & !< file unit for statistics output statUnit = 0, & !< file unit for statistics output
stagIter, & stagIter, &
stagItMax, & !< max number of field level staggered iterations stagItMax, & !< max number of field level staggered iterations
nActiveFields = 0 nActiveFields = 0
character(len=pStringLen), dimension(:), allocatable :: fileContent character(len=pStringLen), dimension(:), allocatable :: fileContent
character(len=pStringLen) :: & character(len=pStringLen) :: &
incInfo, & incInfo, &
loadcase_string loadcase_string
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tLoadCase) :: newLoadCase type(tLoadCase) :: newLoadCase
type(tSolutionState), allocatable, dimension(:) :: solres type(tSolutionState), allocatable, dimension(:) :: solres
procedure(grid_mech_spectral_basic_init), pointer :: & procedure(grid_mech_spectral_basic_init), pointer :: &
mech_init mech_init
procedure(grid_mech_spectral_basic_forward), pointer :: & procedure(grid_mech_spectral_basic_forward), pointer :: &
mech_forward mech_forward
procedure(grid_mech_spectral_basic_solution), pointer :: & procedure(grid_mech_spectral_basic_solution), pointer :: &
mech_solution mech_solution
procedure(grid_mech_spectral_basic_updateCoords), pointer :: & procedure(grid_mech_spectral_basic_updateCoords), pointer :: &
mech_updateCoords mech_updateCoords
procedure(grid_mech_spectral_basic_restartWrite), pointer :: & procedure(grid_mech_spectral_basic_restartWrite), pointer :: &
mech_restartWrite mech_restartWrite
external :: & external :: &
quit quit
class (tNode), pointer :: & class (tNode), pointer :: &
num_grid, & num_grid, &
num_generic num_generic
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! init DAMASK (all modules) ! init DAMASK (all modules)
call CPFEM_initAll call CPFEM_initAll
write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- DAMASK_spectral init -+>>>'; flush(6)
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80' write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! initialize field solver information ! initialize field solver information
nActiveFields = 1 nActiveFields = 1
if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1 if (any(thermal_type == THERMAL_conduction_ID )) nActiveFields = nActiveFields + 1
if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1 if (any(damage_type == DAMAGE_nonlocal_ID )) nActiveFields = nActiveFields + 1
allocate(solres(nActiveFields)) allocate(solres(nActiveFields))
allocate(newLoadCase%ID(nActiveFields)) allocate(newLoadCase%ID(nActiveFields))
!-------------------------------------------------------------------------------------------------
! reading field paramters from numerics file and do sanity checks
num_generic => numerics_root%get('generic', defaultVal=emptyDict)
stagItMax = num_generic%get_asInt('maxStaggeredIter',defaultVal=10)
maxCutBack = num_generic%get_asInt('maxCutBack',defaultVal=3)
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! assign mechanics solver depending on selected type ! assign mechanics solver depending on selected type
num_grid => numerics_root%get('grid',defaultVal=emptyDict) num_grid => numerics_root%get('grid',defaultVal=emptyDict)
select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic'))) select case (trim(num_grid%get_asString('solver', defaultVal = 'Basic')))
case ('Basic') case ('Basic')
mech_init => grid_mech_spectral_basic_init mech_init => grid_mech_spectral_basic_init
mech_forward => grid_mech_spectral_basic_forward mech_forward => grid_mech_spectral_basic_forward
mech_solution => grid_mech_spectral_basic_solution mech_solution => grid_mech_spectral_basic_solution
mech_updateCoords => grid_mech_spectral_basic_updateCoords mech_updateCoords => grid_mech_spectral_basic_updateCoords
mech_restartWrite => grid_mech_spectral_basic_restartWrite mech_restartWrite => grid_mech_spectral_basic_restartWrite
case ('Polarisation') case ('Polarisation')
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42, ext_msg='debug Divergence') call IO_warning(42, ext_msg='debug Divergence')
mech_init => grid_mech_spectral_polarisation_init mech_init => grid_mech_spectral_polarisation_init
mech_forward => grid_mech_spectral_polarisation_forward mech_forward => grid_mech_spectral_polarisation_forward
mech_solution => grid_mech_spectral_polarisation_solution mech_solution => grid_mech_spectral_polarisation_solution
mech_updateCoords => grid_mech_spectral_polarisation_updateCoords mech_updateCoords => grid_mech_spectral_polarisation_updateCoords
mech_restartWrite => grid_mech_spectral_polarisation_restartWrite mech_restartWrite => grid_mech_spectral_polarisation_restartWrite
case ('FEM') case ('FEM')
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42, ext_msg='debug Divergence') call IO_warning(42, ext_msg='debug Divergence')
mech_init => grid_mech_FEM_init mech_init => grid_mech_FEM_init
mech_forward => grid_mech_FEM_forward mech_forward => grid_mech_FEM_forward
mech_solution => grid_mech_FEM_solution mech_solution => grid_mech_FEM_solution
mech_updateCoords => grid_mech_FEM_updateCoords mech_updateCoords => grid_mech_FEM_updateCoords
mech_restartWrite => grid_mech_FEM_restartWrite mech_restartWrite => grid_mech_FEM_restartWrite
case default case default
call IO_error(error_ID = 891, ext_msg = trim(num_grid%get_asString('solver'))) call IO_error(error_ID = 891, ext_msg = trim(num_grid%get_asString('solver')))
end select end select
!-------------------------------------------------------------------------------------------------
! reading field paramters from numerics file and do sanity checks
num_generic => numerics_root%get('generic', defaultVal=emptyDict)
stagItMax = num_generic%get_asInt('maxStaggeredIter',defaultVal=10)
maxCutBack = num_generic%get_asInt('maxCutBack',defaultVal=3)
if (stagItMax < 0) call IO_error(301,ext_msg='maxStaggeredIter')
if (maxCutBack < 0) call IO_error(301,ext_msg='maxCutBack')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! reading information from load case file and to sanity checks ! reading information from load case file and to sanity checks
fileContent = IO_readlines(trim(loadCaseFile)) fileContent = IO_readlines(trim(loadCaseFile))
if(size(fileContent) == 0) call IO_error(307,ext_msg='No load case specified') if(size(fileContent) == 0) call IO_error(307,ext_msg='No load case specified')
allocate (loadCases(0)) ! array of load cases allocate (loadCases(0)) ! array of load cases
do currentLoadCase = 1, size(fileContent) do currentLoadCase = 1, size(fileContent)
line = fileContent(currentLoadCase) line = fileContent(currentLoadCase)
if (IO_isBlank(line)) cycle if (IO_isBlank(line)) cycle
chunkPos = IO_stringPos(line) chunkPos = IO_stringPos(line)
do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase do i = 1, chunkPos(1) ! reading compulsory parameters for loadcase
select case (IO_lc(IO_stringValue(line,chunkPos,i))) select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('l','fdot','dotf','f') case('l','fdot','dotf','f')
N_def = N_def + 1 N_def = N_def + 1
case('t','time','delta') case('t','time','delta')
N_t = N_t + 1 N_t = N_t + 1
case('n','incs','increments','logincs','logincrements') case('n','incs','increments','logincs','logincrements')
N_n = N_n + 1 N_n = N_n + 1
end select end select
enddo enddo
if ((N_def /= N_n) .or. (N_n /= N_t) .or. N_n < 1) & ! sanity check 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(loadCaseFile)) ! error message for incomplete loadcase call IO_error(error_ID=837,el=currentLoadCase,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
newLoadCase%stress%myType='stress' newLoadCase%stress%myType='stress'
field = 1 field = 1
newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default newLoadCase%ID(field) = FIELD_MECH_ID ! mechanical active by default
thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then thermalActive: if (any(thermal_type == THERMAL_conduction_ID)) then
field = field + 1 field = field + 1
newLoadCase%ID(field) = FIELD_THERMAL_ID newLoadCase%ID(field) = FIELD_THERMAL_ID
endif thermalActive endif thermalActive
damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then damageActive: if (any(damage_type == DAMAGE_nonlocal_ID)) then
field = field + 1 field = field + 1
newLoadCase%ID(field) = FIELD_DAMAGE_ID newLoadCase%ID(field) = FIELD_DAMAGE_ID
endif damageActive endif damageActive
call newLoadCase%rot%fromEulers(real([0.0,0.0,0.0],pReal)) call newLoadCase%rot%fromEulers(real([0.0,0.0,0.0],pReal))
readIn: do i = 1, chunkPos(1) readIn: do i = 1, chunkPos(1)
select case (IO_lc(IO_stringValue(line,chunkPos,i))) select case (IO_lc(IO_stringValue(line,chunkPos,i)))
case('fdot','dotf','l','f') ! assign values for the deformation BC matrix case('fdot','dotf','l','f') ! assign values for the deformation BC matrix
temp_valueVector = 0.0_pReal temp_valueVector = 0.0_pReal
if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot 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 IO_lc(IO_stringValue(line,chunkPos,i)) == 'dotf') then
newLoadCase%deformation%myType = 'fdot' newLoadCase%deformation%myType = 'fdot'
else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then else if (IO_lc(IO_stringValue(line,chunkPos,i)) == 'f') then
newLoadCase%deformation%myType = 'f' newLoadCase%deformation%myType = 'f'
else else
newLoadCase%deformation%myType = 'l' newLoadCase%deformation%myType = 'l'
endif endif
do j = 1, 9 do j = 1, 9
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not a * 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 if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
enddo enddo
newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation newLoadCase%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) ! logical mask in 3x3 notation
newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation newLoadCase%deformation%maskFloat = merge(ones,zeros,newLoadCase%deformation%maskLogical)! float (1.0/0.0) mask in 3x3 notation
newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation newLoadCase%deformation%values = math_9to33(temp_valueVector) ! values in 3x3 notation
case('p','stress', 's') case('p','stress', 's')
temp_valueVector = 0.0_pReal temp_valueVector = 0.0_pReal
do j = 1, 9 do j = 1, 9
temp_maskVector(j) = IO_stringValue(line,chunkPos,i+j) /= '*' ! true if not an asterisk 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 if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) ! read value where applicable
enddo enddo
newLoadCase%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3])) newLoadCase%stress%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
newLoadCase%stress%maskFloat = merge(ones,zeros,newLoadCase%stress%maskLogical) newLoadCase%stress%maskFloat = merge(ones,zeros,newLoadCase%stress%maskLogical)
newLoadCase%stress%values = math_9to33(temp_valueVector) newLoadCase%stress%values = math_9to33(temp_valueVector)
case('t','time','delta') ! increment time case('t','time','delta') ! increment time
newLoadCase%time = IO_floatValue(line,chunkPos,i+1) newLoadCase%time = IO_floatValue(line,chunkPos,i+1)
case('n','incs','increments') ! number of increments case('n','incs','increments') ! number of increments
newLoadCase%incs = IO_intValue(line,chunkPos,i+1) newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
case('logincs','logincrements') ! number of increments (switch to log time scaling) case('logincs','logincrements') ! number of increments (switch to log time scaling)
newLoadCase%incs = IO_intValue(line,chunkPos,i+1) newLoadCase%incs = IO_intValue(line,chunkPos,i+1)
newLoadCase%logscale = 1 newLoadCase%logscale = 1
case('freq','frequency','outputfreq') ! frequency of result writings case('freq','frequency','outputfreq') ! frequency of result writings
newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1) newLoadCase%outputfrequency = IO_intValue(line,chunkPos,i+1)
case('r','restart','restartwrite') ! frequency of writing restart information case('r','restart','restartwrite') ! frequency of writing restart information
newLoadCase%restartfrequency = IO_intValue(line,chunkPos,i+1) newLoadCase%restartfrequency = IO_intValue(line,chunkPos,i+1)
case('guessreset','dropguessing') case('guessreset','dropguessing')
newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory newLoadCase%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of load case given in euler angles case('euler') ! rotation of load case given in euler angles
temp_valueVector = 0.0_pReal temp_valueVector = 0.0_pReal
l = 1 ! assuming values given in degrees l = 1 ! assuming values given in degrees
k = 1 ! assuming keyword indicating degree/radians present k = 1 ! assuming keyword indicating degree/radians present
select case (IO_lc(IO_stringValue(line,chunkPos,i+1))) select case (IO_lc(IO_stringValue(line,chunkPos,i+1)))
case('deg','degree') case('deg','degree')
case('rad','radian') ! don't convert from degree to radian case('rad','radian') ! don't convert from degree to radian
l = 0 l = 0
case default case default
k = 0 k = 0
end select end select
do j = 1, 3 do j = 1, 3
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+k+j)
enddo enddo
call newLoadCase%rot%fromEulers(temp_valueVector(1:3),degrees=(l==1)) call newLoadCase%rot%fromEulers(temp_valueVector(1:3),degrees=(l==1))
case('rotation','rot') ! assign values for the rotation matrix case('rotation','rot') ! assign values for the rotation matrix
temp_valueVector = 0.0_pReal temp_valueVector = 0.0_pReal
do j = 1, 9 do j = 1, 9
temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j) temp_valueVector(j) = IO_floatValue(line,chunkPos,i+j)
enddo enddo
call newLoadCase%rot%fromMatrix(math_9to33(temp_valueVector)) call newLoadCase%rot%fromMatrix(math_9to33(temp_valueVector))
end select end select
enddo readIn enddo readIn
newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1) ! by default, guess from previous load case newLoadCase%followFormerTrajectory = merge(.true.,.false.,currentLoadCase > 1) ! by default, guess from previous load case
reportAndCheck: if (worldrank == 0) then reportAndCheck: if (worldrank == 0) then
write (loadcase_string, '(i0)' ) currentLoadCase write (loadcase_string, '(i0)' ) currentLoadCase
write(6,'(/,1x,a,i0)') 'load case: ', currentLoadCase write(6,'(/,1x,a,i0)') 'load case: ', currentLoadCase
if (.not. newLoadCase%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory' if (.not. newLoadCase%followFormerTrajectory) write(6,'(2x,a)') 'drop guessing along trajectory'
if (newLoadCase%deformation%myType == 'l') then if (newLoadCase%deformation%myType == 'l') then
do j = 1, 3 do j = 1, 3
if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. & if (any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined any(newLoadCase%deformation%maskLogical(j,1:3) .eqv. .false.)) errorID = 832 ! each row should be either fully or not at all defined
enddo enddo
write(6,'(2x,a)') 'velocity gradient:' write(6,'(2x,a)') 'velocity gradient:'
else if (newLoadCase%deformation%myType == 'f') then else if (newLoadCase%deformation%myType == 'f') then
write(6,'(2x,a)') 'deformation gradient at end of load case:' write(6,'(2x,a)') 'deformation gradient at end of load case:'
else else
write(6,'(2x,a)') 'deformation gradient rate:' write(6,'(2x,a)') 'deformation gradient rate:'
endif endif
do i = 1, 3; do j = 1, 3 do i = 1, 3; do j = 1, 3
if(newLoadCase%deformation%maskLogical(i,j)) then if(newLoadCase%deformation%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j) write(6,'(2x,f12.7)',advance='no') newLoadCase%deformation%values(i,j)
else else
write(6,'(2x,12a)',advance='no') ' * ' write(6,'(2x,12a)',advance='no') ' * '
endif endif
enddo; write(6,'(/)',advance='no') enddo; write(6,'(/)',advance='no')
enddo enddo
if (any(newLoadCase%stress%maskLogical .eqv. & if (any(newLoadCase%stress%maskLogical .eqv. &
newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only newLoadCase%deformation%maskLogical)) errorID = 831 ! exclusive or masking only
if (any(newLoadCase%stress%maskLogical .and. transpose(newLoadCase%stress%maskLogical) & if (any(newLoadCase%stress%maskLogical .and. transpose(newLoadCase%stress%maskLogical) &
.and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC .and. (math_I3<1))) errorID = 838 ! no rotation is allowed by stress BC
write(6,'(2x,a)') 'stress / GPa:' write(6,'(2x,a)') 'stress / GPa:'
do i = 1, 3; do j = 1, 3 do i = 1, 3; do j = 1, 3
if(newLoadCase%stress%maskLogical(i,j)) then if(newLoadCase%stress%maskLogical(i,j)) then
write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal write(6,'(2x,f12.7)',advance='no') newLoadCase%stress%values(i,j)*1e-9_pReal
else else
write(6,'(2x,12a)',advance='no') ' * ' write(6,'(2x,12a)',advance='no') ' * '
endif endif
enddo; write(6,'(/)',advance='no') enddo; write(6,'(/)',advance='no')
enddo enddo
if (any(abs(matmul(newLoadCase%rot%asMatrix(), & if (any(abs(matmul(newLoadCase%rot%asMatrix(), &
transpose(newLoadCase%rot%asMatrix()))-math_I3) > & transpose(newLoadCase%rot%asMatrix()))-math_I3) > &
reshape(spread(tol_math_check,1,9),[ 3,3]))) errorID = 846 ! given rotation matrix contains strain 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(newLoadCase%rot%asMatrix(), math_I3))) &
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',& write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
transpose(newLoadCase%rot%asMatrix()) transpose(newLoadCase%rot%asMatrix())
if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment if (newLoadCase%time < 0.0_pReal) errorID = 834 ! negative time increment
write(6,'(2x,a,f0.3)') 'time: ', newLoadCase%time write(6,'(2x,a,f0.3)') 'time: ', newLoadCase%time
if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count if (newLoadCase%incs < 1) errorID = 835 ! non-positive incs count
write(6,'(2x,a,i0)') 'increments: ', newLoadCase%incs write(6,'(2x,a,i0)') 'increments: ', newLoadCase%incs
if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency if (newLoadCase%outputfrequency < 1) errorID = 836 ! non-positive result frequency
write(6,'(2x,a,i0)') 'output frequency: ', newLoadCase%outputfrequency write(6,'(2x,a,i0)') 'output frequency: ', newLoadCase%outputfrequency
if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency if (newLoadCase%restartfrequency < 1) errorID = 839 ! non-positive restart frequency
if (newLoadCase%restartfrequency < huge(0)) & if (newLoadCase%restartfrequency < huge(0)) &
write(6,'(2x,a,i0)') 'restart frequency: ', newLoadCase%restartfrequency write(6,'(2x,a,i0)') 'restart frequency: ', newLoadCase%restartfrequency
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
loadCases = [loadCases,newLoadCase] ! load case is ok, append it loadCases = [loadCases,newLoadCase] ! load case is ok, append it
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! doing initialization depending on active solvers ! doing initialization depending on active solvers
call spectral_Utilities_init call spectral_Utilities_init
do field = 1, nActiveFields do field = 1, nActiveFields
select case (loadCases(1)%ID(field)) select case (loadCases(1)%ID(field))
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
call mech_init call mech_init
case(FIELD_THERMAL_ID) case(FIELD_THERMAL_ID)
call grid_thermal_spectral_init call grid_thermal_spectral_init
case(FIELD_DAMAGE_ID) case(FIELD_DAMAGE_ID)
call grid_damage_spectral_init call grid_damage_spectral_init
end select end select
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! write header of output file ! write header of output file
if (worldrank == 0) then if (worldrank == 0) then
writeHeader: if (interface_restartInc < 1) then writeHeader: if (interface_restartInc < 1) then
open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE') open(newunit=statUnit,file=trim(getSolverJobName())//'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) & if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) &
write(6,'(/,a)') ' header of statistics file written out' write(6,'(/,a)') ' header of statistics file written out'
flush(6) flush(6)
else writeHeader else writeHeader
open(newunit=statUnit,file=trim(getSolverJobName())//& open(newunit=statUnit,file=trim(getSolverJobName())//&
'.sta',form='FORMATTED', position='APPEND', status='OLD') '.sta',form='FORMATTED', position='APPEND', status='OLD')
endif writeHeader endif writeHeader
endif endif
writeUndeformed: if (interface_restartInc < 1) then writeUndeformed: if (interface_restartInc < 1) then
write(6,'(1/,a)') ' ... writing initial configuration to file ........................' write(6,'(1/,a)') ' ... writing initial configuration to file ........................'
call CPFEM_results(0,0.0_pReal) call CPFEM_results(0,0.0_pReal)
endif writeUndeformed endif writeUndeformed
loadCaseLooping: do currentLoadCase = 1, size(loadCases) loadCaseLooping: do currentLoadCase = 1, size(loadCases)
time0 = time ! load case start time time0 = time ! load case start time
guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc guess = loadCases(currentLoadCase)%followFormerTrajectory ! change of load case? homogeneous guess for the first inc
incLooping: do inc = 1, loadCases(currentLoadCase)%incs incLooping: do inc = 1, loadCases(currentLoadCase)%incs
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 (loadCases(currentLoadCase)%logscale == 0) then ! linear scale if (loadCases(currentLoadCase)%logscale == 0) then ! linear scale
timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal) timeinc = loadCases(currentLoadCase)%time/real(loadCases(currentLoadCase)%incs,pReal)
else else
if (currentLoadCase == 1) then ! 1st load case of logarithmic scale if (currentLoadCase == 1) then ! 1st load case of logarithmic scale
if (inc == 1) then ! 1st inc of 1st load case of logarithmic scale if (inc == 1) then ! 1st inc of 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real( 1-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd timeinc = loadCases(1)%time*(2.0_pReal**real( 1-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st load case of logarithmic scale else ! not-1st inc of 1st load case of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1-loadCases(1)%incs ,pReal)) timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1-loadCases(1)%incs ,pReal))
endif endif
else ! not-1st load case of logarithmic scale else ! not-1st load case of logarithmic scale
timeinc = time0 * & timeinc = time0 * &
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/& ( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc ,pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal))& real(loadCases(currentLoadCase)%incs ,pReal))&
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1 ,pReal)/& -(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc-1 ,pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal))) real(loadCases(currentLoadCase)%incs ,pReal)))
endif 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
skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc? skipping: if (totalIncsCounter <= interface_restartInc) then ! not yet at restart inc?
time = time + timeinc ! just advance time, skip already performed calculation time = time + timeinc ! just advance time, skip already performed calculation
guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference guess = .true. ! QUESTION:why forced guessing instead of inheriting loadcase preference
else skipping else skipping
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(currentLoadCase)%time+time0 - time remainingLoadCaseTime = loadCases(currentLoadCase)%time+time0 - time
time = time + timeinc ! forward target time time = time + timeinc ! forward target time
stepFraction = stepFraction + 1 ! count step stepFraction = stepFraction + 1 ! count step
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report begin of new step ! report begin of new step
write(6,'(/,a)') ' ###########################################################################' write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5,6(a,i0))') & write(6,'(1x,a,es12.5,6(a,i0))') &
'Time', time, & 'Time', time, &
's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,& 's: Increment ', inc,'/',loadCases(currentLoadCase)%incs,&
'-', stepFraction,'/',subStepFactor**cutBackLevel,& '-', stepFraction,'/',subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases) ' of load case ', currentLoadCase,'/',size(loadCases)
write(incInfo,'(4(a,i0))') & write(incInfo,'(4(a,i0))') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),& 'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
'-', stepFraction,'/',subStepFactor**cutBackLevel '-', stepFraction,'/',subStepFactor**cutBackLevel
flush(6) flush(6)
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! forward fields ! forward fields
do field = 1, nActiveFields do field = 1, nActiveFields
select case(loadCases(currentLoadCase)%ID(field)) select case(loadCases(currentLoadCase)%ID(field))
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
call mech_forward (& call mech_forward (&
cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, & cutBack,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
deformation_BC = loadCases(currentLoadCase)%deformation, & deformation_BC = loadCases(currentLoadCase)%deformation, &
stress_BC = loadCases(currentLoadCase)%stress, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rot) rotation_BC = loadCases(currentLoadCase)%rot)
case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward(cutBack) case(FIELD_THERMAL_ID); call grid_thermal_spectral_forward(cutBack)
case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack) case(FIELD_DAMAGE_ID); call grid_damage_spectral_forward(cutBack)
end select end select
enddo enddo
if(.not. cutBack) call CPFEM_forward if(.not. cutBack) call CPFEM_forward
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! solve fields ! solve fields
stagIter = 0 stagIter = 0
stagIterate = .true. stagIterate = .true.
do while (stagIterate) do while (stagIterate)
do field = 1, nActiveFields do field = 1, nActiveFields
select case(loadCases(currentLoadCase)%ID(field)) select case(loadCases(currentLoadCase)%ID(field))
case(FIELD_MECH_ID) case(FIELD_MECH_ID)
solres(field) = mech_solution (& solres(field) = mech_solution (&
incInfo,timeinc,timeIncOld, & incInfo,timeinc,timeIncOld, &
stress_BC = loadCases(currentLoadCase)%stress, & stress_BC = loadCases(currentLoadCase)%stress, &
rotation_BC = loadCases(currentLoadCase)%rot) rotation_BC = loadCases(currentLoadCase)%rot)
case(FIELD_THERMAL_ID) case(FIELD_THERMAL_ID)
solres(field) = grid_thermal_spectral_solution(timeinc,timeIncOld) solres(field) = grid_thermal_spectral_solution(timeinc,timeIncOld)
case(FIELD_DAMAGE_ID) case(FIELD_DAMAGE_ID)
solres(field) = grid_damage_spectral_solution(timeinc,timeIncOld) solres(field) = grid_damage_spectral_solution(timeinc,timeIncOld)
end select end select
if (.not. solres(field)%converged) exit ! no solution found if (.not. solres(field)%converged) exit ! no solution found
enddo enddo
stagIter = stagIter + 1 stagIter = stagIter + 1
stagIterate = stagIter < stagItMax & stagIterate = stagIter < stagItMax &
.and. all(solres(:)%converged) & .and. all(solres(:)%converged) &
.and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration .and. .not. all(solres(:)%stagConverged) ! stationary with respect to staggered iteration
enddo enddo
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! check solution for either advance or retry ! check solution for either advance or retry
if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged if ( (all(solres(:)%converged .and. solres(:)%stagConverged)) & ! converged
.and. .not. solres(1)%termIll) then ! and acceptable solution found .and. .not. solres(1)%termIll) then ! and acceptable solution found
call mech_updateCoords call mech_updateCoords
timeIncOld = timeinc timeIncOld = timeinc
cutBack = .false. cutBack = .false.
guess = .true. ! start guessing after first converged (sub)inc guess = .true. ! start guessing after first converged (sub)inc
if (worldrank == 0) then if (worldrank == 0) then
write(statUnit,*) totalIncsCounter, time, cutBackLevel, & write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
solres%converged, solres%iterationsNeeded solres%converged, solres%iterationsNeeded
flush(statUnit) flush(statUnit)
endif endif
elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated? elseif (cutBackLevel < maxCutBack) then ! further cutbacking tolerated?
cutBack = .true. cutBack = .true.
stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator stepFraction = (stepFraction - 1) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1 cutBackLevel = cutBackLevel + 1
time = time - timeinc ! rewind time time = time - timeinc ! rewind time
timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep timeinc = timeinc/real(subStepFactor,pReal) ! cut timestep
write(6,'(/,a)') ' cutting back ' write(6,'(/,a)') ' cutting back '
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) ! quit
endif endif
enddo subStepLooping enddo subStepLooping
cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc cutBackLevel = max(0, cutBackLevel - 1) ! try half number of subincs next inc
if (all(solres(:)%converged)) then if (all(solres(:)%converged)) then
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged' write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' converged'
else else
write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged' write(6,'(/,a,i0,a)') ' increment ', totalIncsCounter, ' NOT converged'
endif; flush(6) endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0) then ! at output frequency
write(6,'(1/,a)') ' ... writing results to file ......................................' write(6,'(1/,a)') ' ... writing results to file ......................................'
flush(6) flush(6)
call CPFEM_results(totalIncsCounter,time) call CPFEM_results(totalIncsCounter,time)
endif endif
if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then if (mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0) then
call mech_restartWrite call mech_restartWrite
call CPFEM_restartWrite call CPFEM_restartWrite
endif endif
endif skipping endif skipping
enddo incLooping enddo incLooping
enddo loadCaseLooping enddo loadCaseLooping
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! report summary of whole calculation ! report summary of whole calculation
write(6,'(/,a)') ' ###########################################################################' write(6,'(/,a)') ' ###########################################################################'
if (worldrank == 0) close(statUnit) if (worldrank == 0) close(statUnit)
call quit(0) ! no complains ;) call quit(0) ! no complains ;)
end program DAMASK_grid end program DAMASK_grid

11
src/grid/grid_damage_spectral.f90
View File

@ -60,13 +60,22 @@ subroutine grid_damage_spectral_init
DM :: damage_grid DM :: damage_grid
Vec :: uBound, lBound Vec :: uBound, lBound
PetscErrorCode :: ierr PetscErrorCode :: ierr
character(len=pStringLen) :: snes_type class(tNode), pointer :: &
num_generic
character(len=pStringLen) :: &
snes_type, &
petsc_options
write(6,'(/,a)') ' <<<+- grid_spectral_damage init -+>>>' write(6,'(/,a)') ' <<<+- grid_spectral_damage init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80' write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
! read numerical parameter
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
petsc_options = num_generic%get_asString('petsc_options',defaultVal='')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc ! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-damage_snes_type newtonls -damage_snes_mf & call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-damage_snes_type newtonls -damage_snes_mf &

11
src/grid/grid_mech_FEM.f90
View File

@ -96,13 +96,22 @@ subroutine grid_mech_FEM_init
1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8]) 1.0_pReal, 1.0_pReal, 1.0_pReal, 1.0_pReal], [4,8])
PetscErrorCode :: ierr PetscErrorCode :: ierr
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
character(len=pStringLen) :: fileName character(len=pStringLen) :: &
fileName, &
petsc_options
class(tNode), pointer :: &
num_generic
real(pReal), dimension(3,3,3,3) :: devNull real(pReal), dimension(3,3,3,3) :: devNull
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
u_current,u_lastInc u_current,u_lastInc
write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- grid_mech_FEM init -+>>>'; flush(6)
!-------------------------------------------------------------------------------------------------
! read numerical parameter
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
petsc_options = num_generic%get_asString('petsc_options',defaultVal='')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc ! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres & call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-mech_snes_type newtonls -mech_ksp_type fgmres &

12
src/grid/grid_mech_spectral_basic.f90
View File

@ -89,7 +89,8 @@ subroutine grid_mech_spectral_basic_init
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
class (tNode), pointer :: & class (tNode), pointer :: &
num_grid num_grid, &
num_generic
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
@ -97,7 +98,9 @@ subroutine grid_mech_spectral_basic_init
PetscInt, dimension(worldsize) :: localK PetscInt, dimension(worldsize) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
integer :: fileUnit integer :: fileUnit
character(len=pStringLen) :: fileName character(len=pStringLen) :: &
fileName, &
petsc_options
write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- grid_mech_spectral_basic init -+>>>'; flush(6)
@ -107,6 +110,11 @@ subroutine grid_mech_spectral_basic_init
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
!-------------------------------------------------------------------------------------------------
! read numerical parameters
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
petsc_options = num_generic%get_asString('petsc_options',defaultVal='')
num_grid => numerics_root%get('grid',defaultVal=emptyDict) num_grid => numerics_root%get('grid',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool('update_gamma',defaultVal=.false.) num%update_gamma = num_grid%get_asBool('update_gamma',defaultVal=.false.)

12
src/grid/grid_mech_spectral_polarisation.f90
View File

@ -96,7 +96,8 @@ subroutine grid_mech_spectral_polarisation_init
real(pReal), dimension(3,3) :: & real(pReal), dimension(3,3) :: &
temp33_Real = 0.0_pReal temp33_Real = 0.0_pReal
class (tNode), pointer :: & class (tNode), pointer :: &
num_grid num_grid, &
num_generic
PetscErrorCode :: ierr PetscErrorCode :: ierr
PetscScalar, pointer, dimension(:,:,:,:) :: & PetscScalar, pointer, dimension(:,:,:,:) :: &
@ -106,13 +107,20 @@ subroutine grid_mech_spectral_polarisation_init
PetscInt, dimension(0:worldsize-1) :: localK PetscInt, dimension(0:worldsize-1) :: localK
integer(HID_T) :: fileHandle, groupHandle integer(HID_T) :: fileHandle, groupHandle
integer :: fileUnit integer :: fileUnit
character(len=pStringLen) :: fileName character(len=pStringLen) :: &
fileName, &
petsc_options
write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6) write(6,'(/,a)') ' <<<+- grid_mech_spectral_polarisation init -+>>>'; flush(6)
write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015' write(6,'(/,a)') ' Shanthraj et al., International Journal of Plasticity 66:31–45, 2015'
write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006' write(6,'(a)') ' https://doi.org/10.1016/j.ijplas.2014.02.006'
!-------------------------------------------------------------------------------------------------
! read numerical parameters
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
petsc_options = num_generic%get_asString('petsc_options',defaultVal='')
num_grid => numerics_root%get('grid',defaultVal=emptyDict) num_grid => numerics_root%get('grid',defaultVal=emptyDict)
num%update_gamma = num_grid%get_asBool('update_gamma',defaultVal=.false.) num%update_gamma = num_grid%get_asBool('update_gamma',defaultVal=.false.)

9
src/grid/grid_thermal_spectral.f90
View File

@ -62,12 +62,21 @@ subroutine grid_thermal_spectral_init
DM :: thermal_grid DM :: thermal_grid
PetscScalar, dimension(:,:,:), pointer :: x_scal PetscScalar, dimension(:,:,:), pointer :: x_scal
PetscErrorCode :: ierr PetscErrorCode :: ierr
class(tNode), pointer :: &
num_generic
character(len=pStringLen) :: &
petsc_options
write(6,'(/,a)') ' <<<+- grid_thermal_spectral init -+>>>' write(6,'(/,a)') ' <<<+- grid_thermal_spectral init -+>>>'
write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019' write(6,'(/,a)') ' Shanthraj et al., Handbook of Mechanics of Materials, 2019'
write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80' write(6,'(a)') ' https://doi.org/10.1007/978-981-10-6855-3_80'
!-------------------------------------------------------------------------------------------------
! read numerical parameter
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
petsc_options = num_generic%get_asString('petsc_options',defaultVal='')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set default and user defined options for PETSc ! set default and user defined options for PETSc
call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type ngmres',ierr) call PETScOptionsInsertString(PETSC_NULL_OPTIONS,'-thermal_snes_type ngmres',ierr)

8
src/grid/spectral_utilities.f90
View File

@ -189,8 +189,11 @@ subroutine spectral_utilities_init
scalarSize = 1_C_INTPTR_T, & scalarSize = 1_C_INTPTR_T, &
vecSize = 3_C_INTPTR_T, & vecSize = 3_C_INTPTR_T, &
tensorSize = 9_C_INTPTR_T tensorSize = 9_C_INTPTR_T
character(len=pStringLen) :: &
petsc_options
class (tNode) , pointer :: & class (tNode) , pointer :: &
num_grid num_grid, &
num_generic
write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>' write(6,'(/,a)') ' <<<+- spectral_utilities init -+>>>'
@ -217,6 +220,9 @@ subroutine spectral_utilities_init
trim(PETScDebug), & trim(PETScDebug), &
' add more using the PETSc_Options keyword in numerics.config '; flush(6) ' add more using the PETSc_Options keyword in numerics.config '; flush(6)
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
petsc_options = num_generic%get_asString('petsc_options',defaultVal='')
call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr) call PETScOptionsClear(PETSC_NULL_OPTIONS,ierr)
CHKERRQ(ierr) CHKERRQ(ierr)
if(debugPETSc) call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr) if(debugPETSc) call PETScOptionsInsertString(PETSC_NULL_OPTIONS,trim(PETSCDEBUG),ierr)

9
src/mesh/FEM_utilities.f90
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@ -103,15 +103,20 @@ subroutine FEM_utilities_init
character(len=pStringLen) :: petsc_optionsOrder character(len=pStringLen) :: petsc_optionsOrder
class(tNode), pointer :: & class(tNode), pointer :: &
num_mesh num_mesh, &
num_generic
integer :: structOrder !< order of displacement shape functions integer :: structOrder !< order of displacement shape functions
character(len=pStringLen) :: &
petsc_options
PetscErrorCode :: ierr PetscErrorCode :: ierr
write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>' write(6,'(/,a)') ' <<<+- DAMASK_FEM_utilities init -+>>>'
num_mesh => numerics_root%get('mesh',defaultVal=emptyDict) num_mesh => numerics_root%get('mesh',defaultVal=emptyDict)
structOrder = num_mesh%get_asInt('structOrder',defaultVal = 2) structOrder = num_mesh%get_asInt('structOrder',defaultVal = 2)
num_generic => numerics_root%get('generic',defaultVal=emptyDict)
petsc_options = num_generic%get_asString('petsc_options', defaultVal='')
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! set debugging parameters ! set debugging parameters

27
src/numerics.f90
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@ -25,20 +25,6 @@ module numerics
worldsize = 1 !< MPI worldsize (/=1 for MPI simulations only) worldsize = 1 !< MPI worldsize (/=1 for MPI simulations only)
integer(4), protected, public :: & integer(4), protected, public :: &
DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive DAMASK_NumThreadsInt = 0 !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
!--------------------------------------------------------------------------------------------------
! spectral parameters:
#ifdef Grid
character(len=pStringLen), protected, public :: &
petsc_options
#endif
!--------------------------------------------------------------------------------------------------
! Mesh parameters:
#ifdef Mesh
character(len=pStringLen), protected, public :: &
petsc_options
#endif
public :: numerics_init public :: numerics_init
@ -56,8 +42,6 @@ subroutine numerics_init
character(len=:), allocatable :: & character(len=:), allocatable :: &
numerics_input, & numerics_input, &
numerics_inFlow numerics_inFlow
class (tNode), pointer :: &
num_grid
logical :: fexist logical :: fexist
!$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS !$ character(len=6) DAMASK_NumThreadsString ! environment variable DAMASK_NUM_THREADS
@ -86,12 +70,6 @@ subroutine numerics_init
numerics_input = IO_read('numerics.yaml') numerics_input = IO_read('numerics.yaml')
numerics_inFlow = to_flow(numerics_input) numerics_inFlow = to_flow(numerics_input)
numerics_root => parse_flow(numerics_inFlow,defaultVal=emptyDict) numerics_root => parse_flow(numerics_inFlow,defaultVal=emptyDict)
!--------------------------------------------------------------------------------------------------
! grid parameters
num_grid => numerics_root%get('grid',defaultVal=emptyDict)
#ifdef PETSC
petsc_options = num_grid%get_asString('petsc_options',defaultVal = '')
#endif
else fileExists else fileExists
write(6,'(a,/)') ' using standard values' write(6,'(a,/)') ' using standard values'
flush(6) flush(6)
@ -101,11 +79,6 @@ subroutine numerics_init
! openMP parameter ! openMP parameter
!$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt !$ write(6,'(a24,1x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
!--------------------------------------------------------------------------------------------------
#ifdef PETSC
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options)
#endif
end subroutine numerics_init end subroutine numerics_init
end module numerics end module numerics