DAMASK_EICMD/code/DAMASK_spectral_driver.f90

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! Copyright 2011-13 Max-Planck-Institut für Eisenforschung GmbH
!
! This file is part of DAMASK,
! the Düsseldorf Advanced MAterial Simulation Kit.
!
! DAMASK is free software: you can redistribute it and/or modify
! it under the terms of the GNU General Public License as published by
! the Free Software Foundation, either version 3 of the License, or
! (at your option) any later version.
!
! DAMASK is distributed in the hope that it will be useful,
! but WITHOUT ANY WARRANTY; without even the implied warranty of
! MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
! GNU General Public License for more details.
!
! You should have received a copy of the GNU General Public License
! along with DAMASK. If not, see <http://www.gnu.org/licenses/>.
!
!--------------------------------------------------------------------------------------------------
! $Id$
!--------------------------------------------------------------------------------------------------
!> @author Pratheek Shanthraj, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @brief Driver controlling inner and outer load case looping of the various spectral solvers
!> @details doing cutbacking, forwarding in case of restart, reporting statistics, writing
!> results
!--------------------------------------------------------------------------------------------------
program DAMASK_spectral_Driver
use, intrinsic :: &
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use prec, only: &
pInt, &
pReal, &
tol_math_check
use DAMASK_interface, only: &
DAMASK_interface_init, &
loadCaseFile, &
geometryFile, &
getSolverWorkingDirectoryName, &
getSolverJobName, &
appendToOutFile
use IO, only: &
IO_read, &
IO_isBlank, &
IO_open_file, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_intValue, &
IO_error, &
IO_lc, &
IO_intOut, &
IO_warning, &
IO_timeStamp
use debug, only: &
debug_level, &
debug_spectral, &
debug_levelBasic
use math ! need to include the whole module for FFTW
use CPFEM, only: &
CPFEM_initAll
use FEsolving, only: &
restartWrite, &
restartInc
use numerics, only: &
maxCutBack, &
mySpectralSolver, &
regridMode
use homogenization, only: &
materialpoint_sizeResults, &
materialpoint_results
use DAMASK_spectral_Utilities, only: &
grid, &
geomSize, &
tBoundaryCondition, &
tSolutionState, &
cutBack
use DAMASK_spectral_SolverBasic
#ifdef PETSc
use DAMASK_spectral_SolverBasicPETSC
use DAMASK_spectral_SolverAL
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use DAMASK_spectral_SolverPolarisation
#endif
implicit none
type tLoadCase
real(pReal), dimension (3,3) :: rotation = math_I3 !< rotation of BC
type(tBoundaryCondition) :: P, & !< stress BC
deformation !< deformation BC (Fdot or L)
real(pReal) :: time = 0.0_pReal, & !< length of increment
temperature = 300.0_pReal, & !< isothermal starting conditions
density = 0.0_pReal !< density
integer(pInt) :: incs = 0_pInt, & !< number of increments
outputfrequency = 1_pInt, & !< frequency of result writes
restartfrequency = 0_pInt, & !< frequency of restart writes
logscale = 0_pInt !< linear/logarithmic time inc flag
logical :: followFormerTrajectory = .true. !< follow trajectory of former loadcase
end type tLoadCase
!--------------------------------------------------------------------------------------------------
! 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(pInt), parameter :: maxNchunks = (1_pInt + 9_pInt)*3_pInt + & ! deformation, rotation, and stress
(1_pInt + 1_pInt)*5_pInt + & ! time, (log)incs, temp, restartfrequency, and outputfrequency
1_pInt, & ! dropguessing
myUnit = 234_pInt !< file unit, DAMASK IO does not support newunit feature
integer(pInt), dimension(1_pInt + maxNchunks*2_pInt) :: positions ! this is longer than needed for geometry parsing
integer(pInt) :: &
N_t = 0_pInt, & !< # of time indicators found in load case file
N_n = 0_pInt, & !< # of increment specifiers found in load case file
N_def = 0_pInt !< # of rate of deformation specifiers found in load case file
character(len=65536) :: &
line
!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
real(pReal), dimension(3,3), parameter :: &
ones = 1.0_pReal, &
zeros = 0.0_pReal
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integer(pInt), parameter :: &
subStepFactor = 2_pInt !< for each substep, divide the last time increment by 2.0
real(pReal) :: &
time = 0.0_pReal, & !< elapsed time
time0 = 0.0_pReal, & !< begin of interval
timeinc = 1.0_pReal, & !< current time interval
timeIncOld = 0.0_pReal, & !< previous time interval
remainingLoadCaseTime = 0.0_pReal !< remaining time of current load case
logical :: &
guess !< guess along former trajectory
integer(pInt) :: &
i, j, k, l, &
errorID, &
cutBackLevel = 0_pInt, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
stepFraction = 0_pInt !< fraction of current time interval
integer(pInt) :: &
currentLoadcase = 0_pInt, & !< current load case
inc, & !< current increment in current load case
totalIncsCounter = 0_pInt, & !< total No. of increments
convergedCounter = 0_pInt, & !< No. of converged increments
notConvergedCounter = 0_pInt, & !< No. of non-converged increments
resUnit = 0_pInt, & !< file unit for results writing
statUnit = 0_pInt, & !< file unit for statistics output
lastRestartWritten = 0_pInt !< total increment No. at which last restart information was written
character(len=6) :: loadcase_string
character(len=1024) :: incInfo !< string parsed to solution with information about current load case
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
type(tSolutionState) solres
external :: quit
!--------------------------------------------------------------------------------------------------
! init DAMASK (all modules)
call CPFEM_initAll(temperature = 300.0_pReal, el = 1_pInt, ip = 1_pInt)
write(6,'(/,a)') ' <<<+- DAMASK_spectral_driver init -+>>>'
write(6,'(a)') ' $Id$'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!--------------------------------------------------------------------------------------------------
! reading basic information from load case file and allocate data structure containing load cases
call IO_open_file(myUnit,trim(loadCaseFile))
rewind(myUnit)
do
line = IO_read(myUnit)
if (trim(line) == '#EOF#') exit
if (IO_isBlank(line)) cycle ! skip empty lines
positions = IO_stringPos(line,maxNchunks)
do i = 1_pInt, positions(1) ! reading compulsory parameters for loadcase
select case (IO_lc(IO_stringValue(line,positions,i)))
case('l','velocitygrad','velgrad','velocitygradient','fdot','dotf','f')
N_def = N_def + 1_pInt
case('t','time','delta')
N_t = N_t + 1_pInt
case('n','incs','increments','steps','logincs','logincrements','logsteps')
N_n = N_n + 1_pInt
end select
enddo ! count all identifiers to allocate memory and do sanity check
enddo
if ((N_def /= N_n) .or. (N_n /= N_t)) & ! sanity check
call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
allocate (loadCases(N_n)) ! array of load cases
loadCases%P%myType='p'
!--------------------------------------------------------------------------------------------------
! reading the load case and assign values to the allocated data structure
rewind(myUnit)
do
line = IO_read(myUnit)
if (trim(line) == '#EOF#') exit
if (IO_isBlank(line)) cycle ! skip empty lines
currentLoadCase = currentLoadCase + 1_pInt
positions = IO_stringPos(line,maxNchunks)
do i = 1_pInt, positions(1)
select case (IO_lc(IO_stringValue(line,positions,i)))
case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient','f') ! assign values for the deformation BC matrix
temp_valueVector = 0.0_pReal
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if (IO_lc(IO_stringValue(line,positions,i)) == 'fdot'.or. & ! in case of Fdot, set type to fdot
IO_lc(IO_stringValue(line,positions,i)) == 'dotf') then
loadCases(currentLoadCase)%deformation%myType = 'fdot'
else if (IO_lc(IO_stringValue(line,positions,i)) == 'f') then
loadCases(currentLoadCase)%deformation%myType = 'f'
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else
loadCases(currentLoadCase)%deformation%myType = 'l'
endif
do j = 1_pInt, 9_pInt
temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*' ! true if not a *
enddo
do j = 1_pInt,9_pInt
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j) ! read value where applicable
enddo
loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation
transpose(reshape(temp_maskVector,[ 3,3]))
loadCases(currentLoadCase)%deformation%maskFloat = & ! float (1.0/0.0) mask in 3x3 notation
merge(ones,zeros,loadCases(currentLoadCase)%deformation%maskLogical)
loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation
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case('p','pk1','piolakirchhoff','stress', 's')
temp_valueVector = 0.0_pReal
do j = 1_pInt, 9_pInt
temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*' ! true if not an asterisk
enddo
do j = 1_pInt,9_pInt
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j) ! read value where applicable
enddo
loadCases(currentLoadCase)%P%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
loadCases(currentLoadCase)%P%maskFloat = merge(ones,zeros,&
loadCases(currentLoadCase)%P%maskLogical)
loadCases(currentLoadCase)%P%values = math_plain9to33(temp_valueVector)
case('t','time','delta') ! increment time
loadCases(currentLoadCase)%time = IO_floatValue(line,positions,i+1_pInt)
case('temp','temperature') ! starting temperature
loadCases(currentLoadCase)%temperature = IO_floatValue(line,positions,i+1_pInt)
case('den','density') ! starting density
loadCases(currentLoadCase)%density = IO_floatValue(line,positions,i+1_pInt)
case('n','incs','increments','steps') ! number of increments
loadCases(currentLoadCase)%incs = IO_intValue(line,positions,i+1_pInt)
case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
loadCases(currentLoadCase)%incs = IO_intValue(line,positions,i+1_pInt)
loadCases(currentLoadCase)%logscale = 1_pInt
case('freq','frequency','outputfreq') ! frequency of result writings
loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,positions,i+1_pInt)
case('r','restart','restartwrite') ! frequency of writing restart information
loadCases(currentLoadCase)%restartfrequency = &
max(0_pInt,IO_intValue(line,positions,i+1_pInt))
case('guessreset','dropguessing')
loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of currentLoadCase given in euler angles
temp_valueVector = 0.0_pReal
l = 1_pInt ! assuming values given in degrees
k = 1_pInt ! assuming keyword indicating degree/radians present
select case (IO_lc(IO_stringValue(line,positions,i+1_pInt)))
case('deg','degree')
case('rad','radian') ! don't convert from degree to radian
l = 0_pInt
case default
k = 0_pInt
end select
do j = 1_pInt, 3_pInt
temp_valueVector(j) = IO_floatValue(line,positions,i+k+j)
enddo
if (l == 1_pInt) temp_valueVector(1:3) = temp_valueVector(1:3) * inRad ! convert to rad
loadCases(currentLoadCase)%rotation = math_EulerToR(temp_valueVector(1:3)) ! convert rad Eulers to rotation matrix
case('rotation','rot') ! assign values for the rotation of currentLoadCase matrix
temp_valueVector = 0.0_pReal
do j = 1_pInt, 9_pInt
temp_valueVector(j) = IO_floatValue(line,positions,i+j)
enddo
loadCases(currentLoadCase)%rotation = math_plain9to33(temp_valueVector)
end select
enddo; enddo
close(myUnit)
!--------------------------------------------------------------------------------------------------
! consistency checks and output of load case
loadCases(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadCase
errorID = 0_pInt
checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
write (loadcase_string, '(i6)' ) currentLoadCase
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
write(6,'(2x,a)') 'drop guessing along trajectory'
if (loadCases(currentLoadCase)%deformation%myType=='l') then
do j = 1_pInt, 3_pInt
if (any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .true.) .and. &
any(loadCases(currentLoadCase)%deformation%maskLogical(j,1:3) .eqv. .false.)) &
errorID = 832_pInt ! each row should be either fully or not at all defined
enddo
write(6,'(2x,a)') 'velocity gradient:'
else if (loadCases(currentLoadCase)%deformation%myType=='f') then
write(6,'(2x,a)') 'deformation gradient at end of load case:'
else
write(6,'(2x,a)') 'deformation gradient rate:'
endif
write(6,'(3(3(3x,f12.7,1x)/))',advance='no') &
merge(math_transpose33(loadCases(currentLoadCase)%deformation%values), &
reshape(spread(huge(1.0_pReal),1,9),[ 3,3]), & ! print *** (huge) for undefined
transpose(loadCases(currentLoadCase)%deformation%maskLogical))
if (any(loadCases(currentLoadCase)%P%maskLogical .eqv. &
loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
if (any(loadCases(currentLoadCase)%P%maskLogical .and. &
transpose(loadCases(currentLoadCase)%P%maskLogical) .and. &
reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
errorID = 838_pInt ! no rotation is allowed by stress BC
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'stress / GPa:',&
1e-9_pReal*merge(math_transpose33(loadCases(currentLoadCase)%P%values),&
reshape(spread(huge(1.0_pReal),1,9),[ 3,3]),&
transpose(loadCases(currentLoadCase)%P%maskLogical))
if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, &
math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) >&
reshape(spread(tol_math_check,1,9),[ 3,3]))&
.or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > &
1.0_pReal + tol_math_check) errorID = 846_pInt ! given rotation matrix contains strain
if (any(loadCases(currentLoadCase)%rotation /= math_I3)) &
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
math_transpose33(loadCases(currentLoadCase)%rotation)
write(6,'(2x,a,f12.6)') 'temperature:', loadCases(currentLoadCase)%temperature
write(6,'(2x,a,f12.6)') 'density: ', loadCases(currentLoadCase)%density
if (loadCases(currentLoadCase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
write(6,'(2x,a,f12.6)') 'time: ', loadCases(currentLoadCase)%time
if (loadCases(currentLoadCase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
write(6,'(2x,a,i5)') 'increments: ', loadCases(currentLoadCase)%incs
if (loadCases(currentLoadCase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
write(6,'(2x,a,i5)') 'output frequency: ', &
loadCases(currentLoadCase)%outputfrequency
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
loadCases(currentLoadCase)%restartfrequency
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
enddo checkLoadcases
!--------------------------------------------------------------------------------------------------
! doing initialization depending on selected solver
select case (myspectralsolver)
case (DAMASK_spectral_SolverBasic_label)
call basic_init(loadCases(1)%temperature)
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSc_label)
call basicPETSc_init(loadCases(1)%temperature)
case (DAMASK_spectral_SolverAL_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42_pInt, ext_msg='debug Divergence')
call AL_init(loadCases(1)%temperature)
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case (DAMASK_spectral_SolverPolarisation_label)
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42_pInt, ext_msg='debug Divergence')
call Polarisation_init(loadCases(1)%temperature)
#endif
case default
call IO_error(error_ID = 891, ext_msg = trim(myspectralsolver))
end select
!--------------------------------------------------------------------------------------------------
! write header of output file
if (appendToOutFile) then ! after restart, append to existing results file
open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
'.spectralOut',form='UNFORMATTED', position='APPEND', status='OLD')
! '.spectralOut',access='STREAM', position='APPEND', status='OLD')
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
'.sta',form='FORMATTED', position='APPEND', status='OLD')
else ! open new files ...
open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
'.spectralOut',form='UNFORMATTED',status='REPLACE')
! '.spectralOut',access='STREAM',status='REPLACE')
write(resUnit) 'load', trim(loadCaseFile) ! ... and write header
write(resUnit) 'workingdir', trim(getSolverWorkingDirectoryName())
write(resUnit) 'geometry', trim(geometryFile)
!write(resUnit) 'grid', grid
!write(resUnit) 'size', geomSize
write(resUnit) 'resolution', grid
write(resUnit) 'dimension', geomSize
write(resUnit) 'materialpoint_sizeResults', materialpoint_sizeResults
write(resUnit) 'loadcases', size(loadCases)
write(resUnit) 'frequencies', loadCases%outputfrequency ! one entry per currentLoadCase
write(resUnit) 'times', loadCases%time ! one entry per currentLoadCase
write(resUnit) 'logscales', loadCases%logscale
write(resUnit) 'increments', loadCases%incs ! one entry per currentLoadCase
write(resUnit) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
write(resUnit) 'eoh' ! end of header
write(resUnit) materialpoint_results ! initial (non-deformed or read-in) results
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
'.sta',form='FORMATTED',status='REPLACE')
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
if (iand(debug_level(debug_spectral),debug_levelBasic) /= 0) &
write(6,'(/,a)') ' header of result file written out'
flush(6)
endif
!--------------------------------------------------------------------------------------------------
! loopping over loadcases
loadCaseLooping: do currentLoadCase = 1_pInt, size(loadCases)
time0 = time ! currentLoadCase start time
if (loadCases(currentLoadCase)%followFormerTrajectory) then
guess = .true.
else
guess = .false. ! change of load case, homogeneous guess for the first inc
endif
!--------------------------------------------------------------------------------------------------
! loop oper incs defined in input file for current currentLoadCase
incLooping: do inc = 1_pInt, loadCases(currentLoadCase)%incs
totalIncsCounter = totalIncsCounter + 1_pInt
!--------------------------------------------------------------------------------------------------
! forwarding time
timeIncOld = timeinc
if (loadCases(currentLoadCase)%logscale == 0_pInt) then ! linear scale
timeinc = loadCases(currentLoadCase)%time/loadCases(currentLoadCase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
else
if (currentLoadCase == 1_pInt) then ! 1st currentLoadCase of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st currentLoadCase of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real( 1_pInt-loadCases(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st currentLoadCase of logarithmic scale
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
endif
else ! not-1st currentLoadCase 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_pInt),pReal)/&
real(loadCases(currentLoadCase)%incs ,pReal)))
endif
endif
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
forwarding: if(totalIncsCounter >= restartInc) then
stepFraction = 0_pInt
!--------------------------------------------------------------------------------------------------
! loop over sub incs
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subIncLooping: do while (stepFraction/subStepFactor**cutBackLevel <1_pInt)
time = time + timeinc ! forward time
stepFraction = stepFraction + 1_pInt
remainingLoadCaseTime = time0 - time + loadCases(currentLoadCase)%time + timeInc
!--------------------------------------------------------------------------------------------------
! report begin of new increment
write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,a,es12.5'//&
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
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',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//&
',a,'//IO_intOut(currentLoadCase)//',a,'//IO_intOut(size(loadCases))//')') &
'Time', time, &
's: Increment ', inc, '/', loadCases(currentLoadCase)%incs,&
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'-', stepFraction, '/', subStepFactor**cutBackLevel,&
' of load case ', currentLoadCase,'/',size(loadCases)
flush(6)
write(incInfo,'(a,'//IO_intOut(totalIncsCounter)//',a,'//IO_intOut(sum(loadCases%incs))//&
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',a,'//IO_intOut(stepFraction)//',a,'//IO_intOut(subStepFactor**cutBackLevel)//')') &
'Increment ',totalIncsCounter,'/',sum(loadCases%incs),&
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'-',stepFraction, '/', subStepFactor**cutBackLevel
select case(myspectralsolver)
!--------------------------------------------------------------------------------------------------
! calculate solution
case (DAMASK_spectral_SolverBasic_label)
solres = basic_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
P_BC = loadCases(currentLoadCase)%P, &
F_BC = loadCases(currentLoadCase)%deformation, &
temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation)
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSC_label)
solres = BasicPETSC_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
P_BC = loadCases(currentLoadCase)%P, &
F_BC = loadCases(currentLoadCase)%deformation, &
temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation, &
density = loadCases(currentLoadCase)%density)
case (DAMASK_spectral_SolverAL_label)
solres = AL_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
P_BC = loadCases(currentLoadCase)%P, &
F_BC = loadCases(currentLoadCase)%deformation, &
temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation, &
density = loadCases(currentLoadCase)%density)
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case (DAMASK_spectral_SolverPolarisation_label)
solres = Polarisation_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
P_BC = loadCases(currentLoadCase)%P, &
F_BC = loadCases(currentLoadCase)%deformation, &
temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation, &
density = loadCases(currentLoadCase)%density)
#endif
end select
!--------------------------------------------------------------------------------------------------
! check solution
cutBack = .False.
if(solres%termIll .or. .not. solres%converged) then ! no solution found
if (cutBackLevel < maxCutBack) then ! do cut back
write(6,'(/,a)') ' cut back detected'
cutBack = .True.
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stepFraction = (stepFraction - 1_pInt) * subStepFactor ! adjust to new denominator
cutBackLevel = cutBackLevel + 1_pInt
time = time - timeinc ! rewind time
timeIncOld = timeinc
timeinc = timeinc/2.0_pReal
elseif (solres%termIll) then ! material point model cannot find a solution
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if(regridMode > 0_pInt) call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! regrid requested (mode 1 or 2)
call IO_error(850_pInt) ! no regrid (give up)
else
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if(regridMode == 2_pInt) call quit(-1_pInt*(lastRestartWritten+1_pInt)) ! regrid also if BVP solver do not converge
guess = .true. ! continue from non-converged solution and start guessing after accepted (sub)inc
endif
else
guess = .true. ! start guessing after first converged (sub)inc
endif
if (.not. cutBack) &
write(statUnit,*) totalIncsCounter, time, cutBackLevel, &
solres%converged, solres%iterationsNeeded ! write statistics about accepted solution
enddo subIncLooping
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
if(solres%converged) then ! report converged inc
convergedCounter = convergedCounter + 1_pInt
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') &
' increment ', totalIncsCounter, ' converged'
else
write(6,'(/,a,'//IO_intOut(totalIncsCounter)//',a)') & ! report non-converged inc
' increment ', totalIncsCounter, ' NOT converged'
notConvergedCounter = notConvergedCounter + 1_pInt
endif; flush(6)
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
write(6,'(1/,a)') ' ... writing results to file ......................................'
write(resUnit) materialpoint_results ! write result to file
endif
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. & ! at frequency of writing restart information set restart parameter for FEsolving
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! ToDo first call to CPFEM_general will write?
restartWrite = .true.
lastRestartWritten = inc
endif
else forwarding
time = time + timeinc
guess = .true.
endif forwarding
enddo incLooping
enddo loadCaseLooping
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select case (myspectralsolver)
case (DAMASK_spectral_SolverBasic_label)
call basic_destroy()
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSC_label)
call BasicPETSC_destroy()
case (DAMASK_spectral_SolverAL_label)
call AL_destroy()
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case (DAMASK_spectral_SolverPolarisation_label)
call Polarisation_destroy()
#endif
end select
!--------------------------------------------------------------------------------------------------
! report summary of whole calculation
write(6,'(/,a)') ' ###########################################################################'
write(6,'(1x,i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
notConvergedCounter + convergedCounter, ' (', &
real(convergedCounter, pReal)/&
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
' %) increments converged!'
close(resUnit)
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
call quit(0_pInt) ! no complains ;)
end program DAMASK_spectral_Driver
!--------------------------------------------------------------------------------------------------
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief quit subroutine to mimic behavior of FEM solvers
!> @details exits the Spectral solver and reports time and duration. Exit code 0 signals
!> everything went fine. Exit code 1 signals an error, message according to IO_error. Exit code
!> 2 signals request for regridding, increment of last saved restart information is written to
!> stderr. Exit code 3 signals no severe problems, but some increments did not converge
!--------------------------------------------------------------------------------------------------
subroutine quit(stop_id)
use prec, only: &
pInt
implicit none
integer(pInt), intent(in) :: stop_id
integer, dimension(8) :: dateAndTime ! type default integer
call date_and_time(values = dateAndTime)
write(6,'(/,a)') 'DAMASK terminated on:'
write(6,'(a,2(i2.2,a),i4.4)') 'Date: ',dateAndTime(3),'/',&
dateAndTime(2),'/',&
dateAndTime(1)
write(6,'(a,2(i2.2,a),i2.2)') 'Time: ',dateAndTime(5),':',&
dateAndTime(6),':',&
dateAndTime(7)
if (stop_id == 0_pInt) stop 0 ! normal termination
if (stop_id < 0_pInt) then ! trigger regridding
write(0,'(a,i6)') 'restart at ', stop_id*(-1_pInt)
stop 2
endif
if (stop_id == 3_pInt) stop 3 ! not all incs converged
stop 1 ! error (message from IO_error)
end subroutine quit