! 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 . ! !################################################################################################## !* $Id$ !################################################################################################## ! 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 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 DAMASK_interface, only: & DAMASK_interface_init, & loadCaseFile, & geometryFile, & getSolverWorkingDirectoryName, & getSolverJobName, & appendToOutFile use prec, only: & pInt, & pReal, & DAMASK_NaN use IO, only: & IO_isBlank, & IO_open_file, & IO_stringPos, & IO_stringValue, & IO_floatValue, & IO_intValue, & IO_error, & IO_lc, & IO_read_jobBinaryFile, & IO_write_jobBinaryFile use math use mesh, only : & mesh_spectral_getResolution, & mesh_spectral_getDimension, & mesh_spectral_getHomogenization use CPFEM, only: & CPFEM_initAll use FEsolving, only: & restartWrite, & restartInc use numerics, only: & rotation_tol, & myspectralsolver use homogenization, only: & materialpoint_sizeResults, & materialpoint_results use DAMASK_spectral_SolverAL use DAMASK_spectral_SolverBasic use DAMASK_spectral_Utilities implicit none type loadcase 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 !-------------------------------------------------------------------------------------------------- ! 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, & N_Fdot = 0_pInt ! number of Fourier points character(len=1024) :: & line type(loadcase), allocatable, dimension(:) :: bc type(solutionState) solres !-------------------------------------------------------------------------------------------------- ! loop variables, convergence etc. 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 integer(pInt) :: i, j, k, l, errorID integer(pInt) :: currentLoadcase = 0_pInt, inc, & totalIncsCounter = 0_pInt,& notConvergedCounter = 0_pInt, convergedCounter = 0_pInt character(len=6) :: loadcase_string call DAMASK_interface_init write(6,'(a)') '' write(6,'(a)') ' <<<+- DAMASK_spectral_Driver 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)') '' !-------------------------------------------------------------------------------------------------- ! 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 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_n)) !-------------------------------------------------------------------------------------------------- ! 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 currentLoadcase = currentLoadcase + 1_pInt positions = IO_stringPos(line,maxNchunksLoadcase) do i = 1_pInt,maxNchunksLoadcase select case (IO_lc(IO_stringValue(line,positions,i))) case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix bc(currentLoadcase)%velGradApplied = & (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') temp_valueVector = 0.0_pReal temp_maskVector = .false. 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) enddo bc(currentLoadcase)%maskDeformation = transpose(reshape(temp_maskVector,[ 3,3])) bc(currentLoadcase)%deformation = math_plain9to33(temp_valueVector) case('p','pk1','piolakirchhoff','stress') temp_valueVector = 0.0_pReal forall (j = 1_pInt:9_pInt) bc(currentLoadcase)%maskStressVector(j) =& IO_stringValue(line,positions,i+j) /= '*' do j = 1_pInt,9_pInt if (bc(currentLoadcase)%maskStressVector(j)) temp_valueVector(j) =& IO_floatValue(line,positions,i+j) ! assign values for the bc(currentLoadcase)%stress matrix enddo bc(currentLoadcase)%maskStress = transpose(reshape(bc(currentLoadcase)%maskStressVector,[ 3,3])) bc(currentLoadcase)%stress = math_plain9to33(temp_valueVector) case('t','time','delta') ! increment time bc(currentLoadcase)%time = IO_floatValue(line,positions,i+1_pInt) case('temp','temperature') ! starting temperature bc(currentLoadcase)%temperature = IO_floatValue(line,positions,i+1_pInt) case('n','incs','increments','steps') ! number of increments bc(currentLoadcase)%incs = IO_intValue(line,positions,i+1_pInt) case('logincs','logincrements','logsteps') ! number of increments (switch to log time scaling) bc(currentLoadcase)%incs = IO_intValue(line,positions,i+1_pInt) bc(currentLoadcase)%logscale = 1_pInt case('f','freq','frequency','outputfreq') ! frequency of result writings bc(currentLoadcase)%outputfrequency = IO_intValue(line,positions,i+1_pInt) case('r','restart','restartwrite') ! frequency of writing restart information bc(currentLoadcase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,i+1_pInt)) case('guessreset','dropguessing') bc(currentLoadcase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory case('euler') ! rotation of currentLoadcase given in euler angles l = 0_pInt ! assuming values given in radians k = 1_pInt ! assuming keyword indicating degree/radians select case (IO_lc(IO_stringValue(line,positions,i+1_pInt))) case('deg','degree') l = 1_pInt ! for conversion from degree to radian case('rad','radian') case default k = 0_pInt ! immediately reading in angles, assuming radians end select forall(j = 1_pInt:3_pInt) temp33_Real(j,1) = & IO_floatValue(line,positions,i+k+j) * real(l,pReal) * inRad bc(currentLoadcase)%rotation = math_EulerToR(temp33_Real(:,1)) case('rotation','rot') ! assign values for the rotation of currentLoadcase matrix temp_valueVector = 0.0_pReal forall (j = 1_pInt:9_pInt) temp_valueVector(j) = IO_floatValue(line,positions,i+j) bc(currentLoadcase)%rotation = math_plain9to33(temp_valueVector) end select enddo; enddo 101 close(myUnit) print*, 'my Unit closed' !-------------------------------------------------------------------------------------------------- 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) !-------------------------------------------------------------------------------------------------- ! output of geometry information 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)') '=============================================================' 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() write(6,'(a)') '#############################################################' write(6,'(a)') 'currentLoadcase file: ',trim(loadCaseFile) !-------------------------------------------------------------------------------------------------- ! consistency checks and output of load case bc(1)%followFormerTrajectory = .false. ! cannot guess along trajectory for first inc of first currentLoadcase errorID = 0_pInt checkLoadcases: do currentLoadcase = 1_pInt, size(bc) write (loadcase_string, '(i6)' ) currentLoadcase write(6,'(a)') '=============================================================' write(6,'(a,i6)') 'currentLoadcase: ', currentLoadcase if (.not. bc(currentLoadcase)%followFormerTrajectory) write(6,'(a)') 'drop guessing along trajectory' if (bc(currentLoadcase)%velGradApplied) then do j = 1_pInt, 3_pInt if (any(bc(currentLoadcase)%maskDeformation(j,1:3) .eqv. .true.) .and. & any(bc(currentLoadcase)%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(currentLoadcase)%deformation),& reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(currentLoadcase)%maskDeformation)) write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' stress / GPa:',& 1e-9_pReal*merge(math_transpose33(bc(currentLoadcase)%stress),& reshape(spread(DAMASK_NaN,1,9),[ 3,3]),transpose(bc(currentLoadcase)%maskStress)) if (any(bc(currentLoadcase)%rotation /= math_I3)) & write (6,'(a,/,3(3(f12.7,1x)/))',advance='no') ' rotation of loadframe:',& math_transpose33(bc(currentLoadcase)%rotation) write(6,'(a,f12.6)') 'temperature:', bc(currentLoadcase)%temperature write(6,'(a,f12.6)') 'time: ', bc(currentLoadcase)%time write(6,'(a,i5)') 'increments: ', bc(currentLoadcase)%incs write(6,'(a,i5)') 'output frequency: ', bc(currentLoadcase)%outputfrequency write(6,'(a,i5)') 'restart frequency: ', bc(currentLoadcase)%restartfrequency if (any(bc(currentLoadcase)%maskStress .eqv. bc(currentLoadcase)%maskDeformation)) errorID = 831_pInt ! exclusive or masking only if (any(bc(currentLoadcase)%maskStress .and. transpose(bc(currentLoadcase)%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(currentLoadcase)%rotation,math_transpose33(bc(currentLoadcase)%rotation))& -math_I3) > reshape(spread(rotation_tol,1,9),[ 3,3]))& .or. abs(math_det33(bc(currentLoadcase)%rotation)) > 1.0_pReal + rotation_tol)& errorID = 846_pInt ! given rotation matrix contains strain if (bc(currentLoadcase)%time < 0.0_pReal) errorID = 834_pInt ! negative time increment if (bc(currentLoadcase)%incs < 1_pInt) errorID = 835_pInt ! non-positive incs count if (bc(currentLoadcase)%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 checkLoadcases !-------------------------------------------------------------------------------------------------- ! 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', size(bc) write(538) 'frequencies', bc%outputfrequency ! one entry per currentLoadcase write(538) 'times', bc%time ! one entry per currentLoadcase write(538) 'logscales', bc%logscale write(538) 'increments', bc%incs ! one entry per currentLoadcase 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 select case (myspectralsolver) case (DAMASK_spectral_SolverBasic_label) call basic_init() case (DAMASK_spectral_SolverAL_label) call AL_init() end select !################################################################################################## ! Loop over loadcases defined in the currentLoadcase file !################################################################################################## loadCaseLooping: do currentLoadcase = 1_pInt, size(bc) time0 = time ! currentLoadcase start time if (bc(currentLoadcase)%followFormerTrajectory) then 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 currentLoadcase !################################################################################################## incLooping: do inc = 1_pInt, bc(currentLoadcase)%incs totalIncsCounter = totalIncsCounter + 1_pInt !-------------------------------------------------------------------------------------------------- ! forwarding time timeinc_old = timeinc if (bc(currentLoadcase)%logscale == 0_pInt) then ! linear scale timeinc = bc(currentLoadcase)%time/bc(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 = 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 currentLoadcase of logarithmic scale timeinc = bc(1)%time*(2.0_pReal**real(inc-1_pInt-bc(1)%incs ,pReal)) endif else ! not-1st currentLoadcase of logarithmic scale timeinc = time0 *( (1.0_pReal + bc(currentLoadcase)%time/time0 )**(real( inc,pReal)/& real(bc(currentLoadcase)%incs ,pReal))& -(1.0_pReal + bc(currentLoadcase)%time/time0 )**(real( (inc-1_pInt),pReal)/& real(bc(currentLoadcase)%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 select case (myspectralsolver) case (DAMASK_spectral_SolverBasic_label) solres = basic_solution (& guessmode,timeinc,timeinc_old, & P_BC = bc(currentLoadcase)%stress, & F_BC = bc(currentLoadcase)%deformation, & ! temperature_bc = bc(currentLoadcase)%temperature, & mask_stressVector = bc(currentLoadcase)%maskStressVector, & velgrad = bc(currentLoadcase)%velGradApplied, & rotation_BC = bc(currentLoadcase)%rotation) case (DAMASK_spectral_SolverAL_label) solres = AL_solution (& guessmode,timeinc,timeinc_old, & P_BC = bc(currentLoadcase)%stress, & F_BC = bc(currentLoadcase)%deformation, & ! temperature_bc = bc(currentLoadcase)%temperature, & mask_stressVector = bc(currentLoadcase)%maskStressVector, & velgrad = bc(currentLoadcase)%velGradApplied, & rotation_BC = bc(currentLoadcase)%rotation) end select write(6,'(a)') '' write(6,'(a)') '==================================================================' if(solres%converged) then convergedCounter = convergedCounter + 1_pInt write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' converged' else write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' NOT converged' notConvergedCounter = notConvergedCounter + 1_pInt endif if (mod(inc,bc(currentLoadcase)%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 guessmode = 1.0_pReal ! keep guessing along former trajectory during same currentLoadcase enddo incLooping enddo loadCaseLooping select case (myspectralsolver) case (DAMASK_spectral_SolverBasic_label) call basic_destroy() case (DAMASK_spectral_SolverAL_label) call AL_destroy() end select 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!' close(538) if (notConvergedCounter > 0_pInt) call quit(3_pInt) call quit(0_pInt) end program DAMASK_spectral_Driver !!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!1 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) end subroutine