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DAMASK_EICMD/code/DAMASK_spectralDriver.f90

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removed old standalone AL solver and introduced new structure for solver zoo
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! Copyright 2012 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/>.
!
!##################################################################################################
!* $Id$
!##################################################################################################
! Material subroutine for BVP solution using spectral method
!
! Run 'DAMASK_spectral.exe --help' to get usage hints
!
! written by P. Eisenlohr,
! F. Roters,
! L. Hantcherli,
! W.A. Counts,
! D.D. Tjahjanto,
! C. Kords,
! M. Diehl,
! R. Lebensohn
!
! MPI fuer Eisenforschung, Duesseldorf
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program DAMASK_spectralDriver
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use DAMASK_interface, only: &
DAMASK_interface_init, &
loadCaseFile, &
geometryFile, &
getSolverWorkingDirectoryName, &
getSolverJobName, &
appendToOutFile
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use prec, only: &
pInt, &
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pReal, &
DAMASK_NaN
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use IO, only: &
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IO_isBlank, &
IO_open_file, &
IO_stringPos, &
IO_stringValue, &
IO_floatValue, &
IO_intValue, &
IO_error, &
IO_lc, &
IO_read_jobBinaryFile, &
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IO_write_jobBinaryFile
use math
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use mesh, only : &
mesh_spectral_getResolution, &
mesh_spectral_getDimension, &
mesh_spectral_getHomogenization
use CPFEM, only: &
CPFEM_initAll
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use FEsolving, only: &
restartWrite, &
restartInc
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use numerics, only: &
rotation_tol
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use homogenization, only: &
materialpoint_sizeResults, &
materialpoint_results
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use DAMASK_spectralSolver
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implicit none
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type bc_type
real(pReal), dimension (3,3) :: deformation = 0.0_pReal, & ! applied velocity gradient or time derivative of deformation gradient
stress = 0.0_pReal, & ! stress BC (if applicable)
rotation = math_I3 ! rotation of BC (if applicable)
real(pReal) :: time = 0.0_pReal, & ! length of increment
temperature = 300.0_pReal ! isothermal starting conditions
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/logaritmic time inc flag
logical :: followFormerTrajectory = .true., & ! follow trajectory of former loadcase
velGradApplied = .false. ! decide wether velocity gradient or fdot is given
logical, dimension(3,3) :: maskDeformation = .false., & ! mask of deformation boundary conditions
maskStress = .false. ! mask of stress boundary conditions
logical, dimension(9) :: maskStressVector = .false. ! linear mask of boundary conditions
end type
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!--------------------------------------------------------------------------------------------------
! variables related to information from load case and geom file
real(pReal), dimension(9) :: &
temp_valueVector !> temporarily from loadcase file when reading in tensors
logical, dimension(9) :: &
temp_maskVector !> temporarily from loadcase file when reading in tensors
integer(pInt), parameter :: maxNchunksLoadcase = (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
maxNchunksGeom = 7_pInt, & ! 4 identifiers, 3 values
myUnit = 234_pInt
integer(pInt), dimension(1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
integer(pInt) :: &
N_l = 0_pInt, &
N_t = 0_pInt, &
N_n = 0_pInt, &
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N_Fdot = 0_pInt ! number of Fourier points
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character(len=1024) :: &
line
type(bc_type), allocatable, dimension(:) :: bc
type(solution_t) solres
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!--------------------------------------------------------------------------------------------------
! loop variables, convergence etc.
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real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval
real(pReal) :: guessmode
real(pReal), dimension(3,3) :: temp33_Real
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integer(pInt) :: i, j, k, q, errorID
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integer(pInt) :: N_Loadcases, loadcase = 0_pInt, inc, &
totalIncsCounter = 0_pInt,&
notConvergedCounter = 0_pInt, convergedCounter = 0_pInt
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character(len=6) :: loadcase_string
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call DAMASK_interface_init
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write(6,'(a)') ''
write(6,'(a)') ' <<<+- DAMASK_spectral init -+>>>'
write(6,'(a)') ' $Id$'
#include "compilation_info.f90"
write(6,'(a)') ' Working Directory: ',trim(getSolverWorkingDirectoryName())
write(6,'(a)') ' Solver Job Name: ',trim(getSolverJobName())
write(6,'(a)') ''
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!--------------------------------------------------------------------------------------------------
! reading the load case file and allocate data structure containing load cases
call IO_open_file(myUnit,trim(loadCaseFile))
rewind(myUnit)
do
read(myUnit,'(a1024)',END = 100) line
if (IO_isBlank(line)) cycle ! skip empty lines
positions = IO_stringPos(line,maxNchunksLoadcase)
do i = 1_pInt, maxNchunksLoadcase, 1_pInt ! reading compulsory parameters for loadcase
select case (IO_lc(IO_stringValue(line,positions,i)))
case('l','velocitygrad','velgrad','velocitygradient')
N_l = N_l + 1_pInt
case('fdot','dotf')
N_Fdot = N_Fdot + 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
100 N_Loadcases = N_n
if ((N_l + N_Fdot /= 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 (bc(N_Loadcases))
!--------------------------------------------------------------------------------------------------
! reading the load case and assign values to the allocated data structure
rewind(myUnit)
do
read(myUnit,'(a1024)',END = 101) line
if (IO_isBlank(line)) cycle ! skip empty lines
loadcase = loadcase + 1_pInt
positions = IO_stringPos(line,maxNchunksLoadcase)
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do i = 1_pInt,maxNchunksLoadcase
select case (IO_lc(IO_stringValue(line,positions,i)))
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case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
bc(loadcase)%velGradApplied = &
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(IO_lc(IO_stringValue(line,positions,i)) == 'l'.or. & ! in case of given L, set flag to true
IO_lc(IO_stringValue(line,positions,i)) == 'velocitygrad'.or.&
IO_lc(IO_stringValue(line,positions,i)) == 'velgrad'.or.&
IO_lc(IO_stringValue(line,positions,i)) == 'velocitygradient')
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temp_valueVector = 0.0_pReal
temp_maskVector = .false.
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forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*'
do j = 1_pInt,9_pInt
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
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enddo
bc(loadcase)%maskDeformation = transpose(reshape(temp_maskVector,[ 3,3]))
bc(loadcase)%deformation = math_plain9to33(temp_valueVector)
case('p','pk1','piolakirchhoff','stress')
temp_valueVector = 0.0_pReal
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forall (j = 1_pInt:9_pInt) bc(loadcase)%maskStressVector(j) =&
IO_stringValue(line,positions,i+j) /= '*'
do j = 1_pInt,9_pInt
if (bc(loadcase)%maskStressVector(j)) temp_valueVector(j) =&
IO_floatValue(line,positions,i+j) ! assign values for the bc(loadcase)%stress matrix
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enddo
bc(loadcase)%maskStress = transpose(reshape(bc(loadcase)%maskStressVector,[ 3,3]))
bc(loadcase)%stress = math_plain9to33(temp_valueVector)
case('t','time','delta') ! increment time
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bc(loadcase)%time = IO_floatValue(line,positions,i+1_pInt)
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case('temp','temperature') ! starting temperature
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bc(loadcase)%temperature = IO_floatValue(line,positions,i+1_pInt)
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case('n','incs','increments','steps') ! number of increments
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bc(loadcase)%incs = IO_intValue(line,positions,i+1_pInt)
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case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling)
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bc(loadcase)%incs = IO_intValue(line,positions,i+1_pInt)
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bc(loadcase)%logscale = 1_pInt
case('f','freq','frequency','outputfreq') ! frequency of result writings
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bc(loadcase)%outputfrequency = IO_intValue(line,positions,i+1_pInt)
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case('r','restart','restartwrite') ! frequency of writing restart information
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bc(loadcase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,i+1_pInt))
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case('guessreset','dropguessing')
bc(loadcase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
case('euler') ! rotation of loadcase given in euler angles
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q = 0_pInt ! assuming values given in radians
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k = 1_pInt ! assuming keyword indicating degree/radians
select case (IO_lc(IO_stringValue(line,positions,i+1_pInt)))
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case('deg','degree')
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q = 1_pInt ! for conversion from degree to radian
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case('rad','radian')
case default
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k = 0_pInt ! immediately reading in angles, assuming radians
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end select
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forall(j = 1_pInt:3_pInt) temp33_Real(j,1) = &
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IO_floatValue(line,positions,i+k+j) * real(q,pReal) * inRad
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bc(loadcase)%rotation = math_EulerToR(temp33_Real(:,1))
case('rotation','rot') ! assign values for the rotation of loadcase matrix
temp_valueVector = 0.0_pReal
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forall (j = 1_pInt:9_pInt) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
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bc(loadcase)%rotation = math_plain9to33(temp_valueVector)
end select
enddo; enddo
101 close(myUnit)
!-------------------------------------------------------------------------------------------------- ToDo: if temperature at CPFEM is treated properly, move this up immediately after interface init
! initialization of all related DAMASK modules (e.g. mesh.f90 reads in geometry)
call CPFEM_initAll(bc(1)%temperature,1_pInt,1_pInt)
!--------------------------------------------------------------------------------------------------
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! output of geometry information
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write(6,'(a)') ''
write(6,'(a)') '#############################################################'
write(6,'(a)') 'DAMASK spectral:'
write(6,'(a)') 'The spectral method boundary value problem solver for'
write(6,'(a)') 'the Duesseldorf Advanced Material Simulation Kit'
write(6,'(a)') '#############################################################'
write(6,'(a)') 'geometry file: ',trim(geometryFile)
write(6,'(a)') '============================================================='
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write(6,'(a,3(i12 ))') 'resolution a b c:', mesh_spectral_getResolution()
write(6,'(a,3(f12.5))') 'dimension x y z:', mesh_spectral_getDimension()
write(6,'(a,i5)') 'homogenization: ', mesh_spectral_getHomogenization()
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write(6,'(a)') '#############################################################'
write(6,'(a)') 'loadcase file: ',trim(loadCaseFile)
!--------------------------------------------------------------------------------------------------
! consistency checks and output of load case
bc(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first loadcase
errorID = 0_pInt
do loadcase = 1_pInt, N_Loadcases
write (loadcase_string, '(i6)' ) loadcase
write(6,'(a)') '============================================================='
write(6,'(a,i6)') 'loadcase: ', loadcase
if (.not. bc(loadcase)%followFormerTrajectory) write(6,'(a)') 'drop guessing along trajectory'
if (bc(loadcase)%velGradApplied) then
do j = 1_pInt, 3_pInt
if (any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .true.) .and. &
any(bc(loadcase)%maskDeformation(j,1:3) .eqv. .false.)) errorID = 832_pInt ! each row should be either fully or not at all defined
enddo
write(6,'(a)')'velocity gradient:'
else
write(6,'(a)')'deformation gradient rate:'
endif
write (6,'(3(3(f12.7,1x)/))',advance='no') merge(math_transpose33(bc(loadcase)%deformation),&
reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskDeformation))
write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' stress / GPa:',&
1e-9_pReal*merge(math_transpose33(bc(loadcase)%stress),&
reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(loadcase)%maskStress))
if (any(bc(loadcase)%rotation /= math_I3)) &
write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' rotation of loadframe:',&
math_transpose33(bc(loadcase)%rotation)
write(6,'(a,f12.6)') 'temperature:', bc(loadcase)%temperature
write(6,'(a,f12.6)') 'time: ', bc(loadcase)%time
write(6,'(a,i5)') 'increments: ', bc(loadcase)%incs
write(6,'(a,i5)') 'output frequency: ', bc(loadcase)%outputfrequency
write(6,'(a,i5)') 'restart frequency: ', bc(loadcase)%restartfrequency
if (any(bc(loadcase)%maskStress .eqv. bc(loadcase)%maskDeformation)) errorID = 831_pInt ! exclusive or masking only
if (any(bc(loadcase)%maskStress .and. transpose(bc(loadcase)%maskStress) .and. &
reshape([ .false.,.true.,.true.,.true.,.false.,.true.,.true.,.true.,.false.],[ 3,3]))) &
errorID = 838_pInt ! no rotation is allowed by stress BC
if (any(abs(math_mul33x33(bc(loadcase)%rotation,math_transpose33(bc(loadcase)%rotation))&
-math_I3) > reshape(spread(rotation_tol,1,9),[ 3,3]))&
.or. abs(math_det33(bc(loadcase)%rotation)) > 1.0_pReal + rotation_tol)&
errorID = 846_pInt ! given rotation matrix contains strain
if (bc(loadcase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment
if (bc(loadcase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count
if (bc(loadcase)%outputfrequency < 1_pInt) errorID = 836_pInt ! non-positive result frequency
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
enddo
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!--------------------------------------------------------------------------------------------------
! write header of output file
if (appendToOutFile) then
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut',&
form='UNFORMATTED', position='APPEND', status='OLD')
else
open(538,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//'.spectralOut',&
form='UNFORMATTED',status='REPLACE')
write(538) 'load', trim(loadCaseFile)
write(538) 'workingdir', trim(getSolverWorkingDirectoryName())
write(538) 'geometry', trim(geometryFile)
write(538) 'resolution', mesh_spectral_getResolution()
write(538) 'dimension', mesh_spectral_getDimension()
write(538) 'materialpoint_sizeResults', materialpoint_sizeResults
write(538) 'loadcases', N_Loadcases
write(538) 'frequencies', bc(1:N_Loadcases)%outputfrequency ! one entry per loadcase
write(538) 'times', bc(1:N_Loadcases)%time ! one entry per loadcase
write(538) 'logscales', bc(1:N_Loadcases)%logscale
write(538) 'increments', bc(1:N_Loadcases)%incs ! one entry per loadcase
write(538) 'startingIncrement', restartInc - 1_pInt ! start with writing out the previous inc
write(538) 'eoh' ! end of header
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! initial (non-deformed or read-in) results
if (debugGeneral) write(6,'(a)') 'Header of result file written out'
endif
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call Solver_Init()
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!##################################################################################################
! Loop over loadcases defined in the loadcase file
!##################################################################################################
do loadcase = 1_pInt, N_Loadcases
time0 = time ! loadcase start time
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if (bc(loadcase)%followFormerTrajectory) then
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guessmode = 1.0_pReal
else
guessmode = 0.0_pReal ! change of load case, homogeneous guess for the first inc
endif
!##################################################################################################
! loop oper incs defined in input file for current loadcase
!##################################################################################################
do inc = 1_pInt, bc(loadcase)%incs
totalIncsCounter = totalIncsCounter + 1_pInt
!--------------------------------------------------------------------------------------------------
! forwarding time
timeinc_old = timeinc
if (bc(loadcase)%logscale == 0_pInt) then ! linear scale
timeinc = bc(loadcase)%time/bc(loadcase)%incs ! only valid for given linear time scale. will be overwritten later in case loglinear scale is used
else
if (loadcase == 1_pInt) then ! 1st loadcase of logarithmic scale
if (inc == 1_pInt) then ! 1st inc of 1st loadcase of logarithmic scale
timeinc = bc(1)%time*(2.0_pReal**real( 1_pInt-bc(1)%incs ,pReal)) ! assume 1st inc is equal to 2nd
else ! not-1st inc of 1st loadcase of logarithmic scale
timeinc = bc(1)%time*(2.0_pReal**real(inc-1_pInt-bc(1)%incs ,pReal))
endif
else ! not-1st loadcase of logarithmic scale
timeinc = time0 *( (1.0_pReal + bc(loadcase)%time/time0 )**(real( inc,pReal)/&
real(bc(loadcase)%incs ,pReal))&
-(1.0_pReal + bc(loadcase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
real(bc(loadcase)%incs ,pReal)) )
endif
endif
time = time + timeinc
if(totalIncsCounter >= restartInc) then ! do calculations (otherwise just forwarding)
!--------------------------------------------------------------------------------------------------
! report begin of new increment
write(6,'(a)') '##################################################################'
write(6,'(A,I5.5,A,es12.5)') 'Increment ', totalIncsCounter, ' Time ',time
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solres =solution (&
guessmode,timeinc,timeinc_old, &
P_BC = bc(loadcase)%stress, &
F_BC = bc(loadcase)%deformation, &
! temperature_bc = bc(loadcase)%temperature, &
mask_stressVector = bc(loadcase)%maskStressVector, &
velgrad = bc(loadcase)%velGradApplied, &
rotation_BC = bc(loadcase)%rotation)
intermediate, not working state of new solver structure
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removed old standalone AL solver and introduced new structure for solver zoo
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write(6,'(a)') ''
write(6,'(a)') '=================================================================='
intermediate, not working state of new solver structure
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if(solres%converged) then
removed old standalone AL solver and introduced new structure for solver zoo
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convergedCounter = convergedCounter + 1_pInt
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' converged'
intermediate, not working state of new solver structure
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else
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' NOT converged'
notConvergedCounter = notConvergedCounter + 1_pInt
removed old standalone AL solver and introduced new structure for solver zoo
2012-07-19 22:54:56 +05:30
endif
if (mod(inc,bc(loadcase)%outputFrequency) == 0_pInt) then ! at output frequency
write(6,'(a)') ''
write(6,'(a)') '... writing results to file ......................................'
write(538) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:Npoints) ! write result to file
endif
endif ! end calculation/forwarding
intermediate, not working state of new solver structure
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guessmode = 1.0_pReal ! keep guessing along former trajectory during same loadcase
enddo ! end looping over incs in current loadcase
enddo ! end looping over loadcases
write(6,'(a)') ''
write(6,'(a)') '##################################################################'
write(6,'(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!'
removed old standalone AL solver and introduced new structure for solver zoo
2012-07-19 22:54:56 +05:30
close(538)
if (notConvergedCounter > 0_pInt) call quit(3_pInt)
call quit(0_pInt)
intermediate, not working state of new solver structure
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end program DAMASK_spectralDriver
further modularisation of spectral solver (only for basic scheme so far)
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!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!1
intermediate, not working state of new solver structure
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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 steps converged
stop 1 ! error (message from IO_error)
further modularisation of spectral solver (only for basic scheme so far)
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end subroutine