numerics.f90

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# 1 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
# 1 "<built-in>"
# 1 "<command-line>"
# 1 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
!--------------------------------------------------------------------------------------------------
!--------------------------------------------------------------------------------------------------
module numerics
 use prec
 use io
 
 
 
# 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 1
!
!
!  Part of the base include file for Fortran use of 1.
!  Note: This file should contain only define statements and
!  not the declaration of variables.
 
! No spaces for #defines as some compilers (PGI) also adds
! those additional spaces during preprocessing - bad for fixed format
!
 
 
 
# 1 "/opt/petsc-3.10.3/Intel-18.4-IntelMPI-2018/include/petscconf.h" 1
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
# 13 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
 
 
 
 
# 1 "/opt/petsc-3.10.3/include/petscversion.h" 1
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
# 17 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
 
# 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscviewer.h" 1
!
!  Include file for Fortran use of the PetscViewer package in 1
!
 
 
 
 
 
 
 
 
 
 
 
 
 
# 31 "/opt/petsc-3.10.3/include/petsc/finclude/petscviewer.h"
 
# 18 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
 
# 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscerror.h" 1
 
!
!  Include file for Fortran error codes
!    These are also in include/petscerror.h
!
 
 
 
# 24 "/opt/petsc-3.10.3/include/petsc/finclude/petscerror.h"
 
# 38 "/opt/petsc-3.10.3/include/petsc/finclude/petscerror.h"
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
 
# 19 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
 
# 1 "/opt/petsc-3.10.3/include/petsc/finclude/petsclog.h" 1
!
!  No includes needed for logging
# 20 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
 
# 1 "/opt/petsc-3.10.3/include/petsc/finclude/petscbag.h" 1
!
!
!  Include file for Fortran use of the Bag package in 1
!
 
 
 
 
 
!
!  End of Fortran include file for the IS package in 1
 
# 21 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h" 2
 
!
! The real*8,complex*16 notatiton is used so that the
! 1 double/complex variables are not affected by
! compiler options like -r4,-r8, sometimes invoked
! by the user. NAG compiler does not like integer*4,real*8
 
# 41 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
 
 
 
 
 
 
 
 
 
# 63 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
 
 
 
 
 
 
!
 
 
 
 
 
!
# 85 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
!
 
 
 
 
 
 
!
 
 
 
 
!
 
!
 
 
!
# 128 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
 
# 150 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
!
!     Macro for templating between real and complex
!
# 174 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
 
 
 
 
 
 
 
 
 
!
!    Allows the matrix Fortran Kernels to work with single precision
!    matrix data structures
!
 
!
!     PetscLogDouble variables are used to contain double precision numbers
!     that are not used in the numerical computations, but rather in logging,
!     timing etc.
!
 
 
!
!     Macros for error checking
!
 
 
 
 
 
 
 
 
# 215 "/opt/petsc-3.10.3/include/petsc/finclude/petscsys.h"
 
 
 
 
 
 
 
 
 
 
 
 
# 12 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90" 2
   use petscsys
 
!$ use OMP_LIB
 
 implicit none
 private
 
 integer, protected, public :: &
   ijacostiffness             =  1, &                                                               !< frequency of stiffness update
   randomseed                 =  0, &                                                               
   worldrank                  =  0, &                                                               
   worldsize                  =  1, &                                                               
   numerics_integrator        =  1                                                                  
 integer(4), protected, public :: &
   damask_numthreadsint       =  0
 real(preal), protected, public :: &
   defgradtolerance           =  1.0e-7_preal, &                                                    
   numerics_unitlength        =  1.0_preal, &                                                       
   charlength                 =  1.0_preal, &                                                       
   residualstiffness          =  1.0e-6_preal                                                       
 logical, protected, public :: &
   usepingpong                = .true.
 
!--------------------------------------------------------------------------------------------------
! field parameters:
 real(preal), protected, public :: &
   err_struct_tolabs          =  1.0e-10_preal, &                                                   
   err_struct_tolrel          =  1.0e-4_preal, &                                                    
   err_thermal_tolabs         =  1.0e-2_preal, &                                                    
   err_thermal_tolrel         =  1.0e-6_preal, &                                                    
   err_damage_tolabs          =  1.0e-2_preal, &                                                    
   err_damage_tolrel          =  1.0e-6_preal                                                       
 integer, protected, public :: &
   itmax                      =  250, &                                                             !< maximum number of iterations
   itmin                      =  1, &                                                               
   stagitmax                  =  10, &                                                              
   maxcutback                 =  3                                                                  
 
!--------------------------------------------------------------------------------------------------
! spectral parameters:
# 65 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
 
!--------------------------------------------------------------------------------------------------
! FEM parameters:
# 77 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
 
 public :: numerics_init
 
contains
 
 
!--------------------------------------------------------------------------------------------------
! a sanity check
!--------------------------------------------------------------------------------------------------
subroutine numerics_init
!$ integer ::                                gotDAMASK_NUM_THREADS = 1
 integer :: i,j, ierr
 integer, allocatable, dimension(:) :: chunkpos
 character(len=pStringLen), dimension(:), allocatable :: filecontent
 character(len=pStringLen) :: &
   tag ,&
   line
 logical :: fexist
!$ character(len=6) DAMASK_NumThreadsString                                                         ! environment variable DAMASK_NUM_THREADS
 
 
 call mpi_comm_rank(petsc_comm_world,worldrank,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
 call mpi_comm_size(petsc_comm_world,worldsize,ierr);if (ierr .ne. 0) then;call petscerrorf(ierr);return;endif
 
 write(6,'(/,a)') ' <<<+-  numerics init  -+>>>'
 
!$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS)   ! get environment variable DAMASK_NUM_THREADS...
!$ if(gotDAMASK_NUM_THREADS /= 0) then                                                              ! could not get number of threads, set it to 1
!$   call IO_warning(35,ext_msg='BEGIN:'//DAMASK_NumThreadsString//':END')
!$   DAMASK_NumThreadsInt = 1_4
!$ else
!$   read(DAMASK_NumThreadsString,'(i6)') DAMASK_NumThreadsInt                                      ! read as integer
!$   if (DAMASK_NumThreadsInt < 1_4) DAMASK_NumThreadsInt = 1_4                                     ! in case of string conversion fails, set it to one
!$ endif
!$ call omp_set_num_threads(DAMASK_NumThreadsInt)                                                   ! set number of threads for parallel execution
 
 inquire(file='numerics.config', exist=fexist)
 
 fileexists: if (fexist) then
   write(6,'(a,/)') ' using values from config file'
   flush(6)
   filecontent = io_read_ascii('numerics.config')
   do j=1, size(filecontent)
 
!--------------------------------------------------------------------------------------------------
! read variables from config file and overwrite default parameters if keyword is present
     line = filecontent(j)
     do i=1,len(line)
       if(line(i:i) == '=') line(i:i) = ' '                                                         ! also allow keyword = value version
     enddo
     if (io_isblank(line)) cycle                                                                    ! skip empty lines
     chunkpos = io_stringpos(line)
     tag = io_lc(io_stringvalue(line,chunkpos,1))                                                   ! extract key
 
     select case(tag)
       case ('defgradtolerance')
         defgradtolerance = io_floatvalue(line,chunkpos,2)
       case ('ijacostiffness')
         ijacostiffness = io_intvalue(line,chunkpos,2)
       case ('integrator')
         numerics_integrator = io_intvalue(line,chunkpos,2)
       case ('usepingpong')
         usepingpong = io_intvalue(line,chunkpos,2) > 0
       case ('unitlength')
         numerics_unitlength = io_floatvalue(line,chunkpos,2)
 
!--------------------------------------------------------------------------------------------------
! random seeding parameter
       case ('random_seed','fixed_seed')
         randomseed = io_intvalue(line,chunkpos,2)
 
!--------------------------------------------------------------------------------------------------
! gradient parameter
       case ('charlength')
         charlength = io_floatvalue(line,chunkpos,2)
       case ('residualstiffness')
         residualstiffness = io_floatvalue(line,chunkpos,2)
 
!--------------------------------------------------------------------------------------------------
! field parameters
       case ('err_struct_tolabs')
         err_struct_tolabs = io_floatvalue(line,chunkpos,2)
       case ('err_struct_tolrel')
         err_struct_tolrel = io_floatvalue(line,chunkpos,2)
       case ('err_thermal_tolabs')
         err_thermal_tolabs = io_floatvalue(line,chunkpos,2)
       case ('err_thermal_tolrel')
         err_thermal_tolrel = io_floatvalue(line,chunkpos,2)
       case ('err_damage_tolabs')
         err_damage_tolabs = io_floatvalue(line,chunkpos,2)
       case ('err_damage_tolrel')
         err_damage_tolrel = io_floatvalue(line,chunkpos,2)
       case ('itmax')
         itmax = io_intvalue(line,chunkpos,2)
       case ('itmin')
         itmin = io_intvalue(line,chunkpos,2)
       case ('maxcutback')
         maxcutback = io_intvalue(line,chunkpos,2)
       case ('maxstaggerediter')
         stagitmax = io_intvalue(line,chunkpos,2)
 
!--------------------------------------------------------------------------------------------------
! spectral parameters
# 201 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
 
!--------------------------------------------------------------------------------------------------
! FEM parameters
# 214 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
     end select
   enddo
 else fileexists
   write(6,'(a,/)') ' using standard values'
   flush(6)
 endif fileexists
 
 
!--------------------------------------------------------------------------------------------------
! writing parameters to output
 write(6,'(a24,1x,es8.1)')  ' defgradTolerance:       ',defgradtolerance
 write(6,'(a24,1x,i8)')     ' iJacoStiffness:         ',ijacostiffness
 write(6,'(a24,1x,i8)')     ' integrator:             ',numerics_integrator
 write(6,'(a24,1x,L8)')     ' use ping pong scheme:   ',usepingpong
 write(6,'(a24,1x,es8.1,/)')' unitlength:             ',numerics_unitlength
 
!--------------------------------------------------------------------------------------------------
! Random seeding parameter
 write(6,'(a16,1x,i16,/)')    ' random_seed:    ',randomseed
 if (randomseed <= 0) &
   write(6,'(a,/)')           ' random seed will be generated!'
 
!--------------------------------------------------------------------------------------------------
! gradient parameter
 write(6,'(a24,1x,es8.1)')   ' charLength:             ',charlength
 write(6,'(a24,1x,es8.1)')   ' residualStiffness:      ',residualstiffness
 
!--------------------------------------------------------------------------------------------------
! openMP parameter
 !$  write(6,'(a24,1x,i8,/)')   ' number of threads:      ',DAMASK_NumThreadsInt
 
!--------------------------------------------------------------------------------------------------
! field parameters
 write(6,'(a24,1x,i8)')      ' itmax:                  ',itmax
 write(6,'(a24,1x,i8)')      ' itmin:                  ',itmin
 write(6,'(a24,1x,i8)')      ' maxCutBack:             ',maxcutback
 write(6,'(a24,1x,i8)')      ' maxStaggeredIter:       ',stagitmax
 write(6,'(a24,1x,es8.1)')   ' err_struct_tolAbs:      ',err_struct_tolabs
 write(6,'(a24,1x,es8.1)')   ' err_struct_tolRel:      ',err_struct_tolrel
 write(6,'(a24,1x,es8.1)')   ' err_thermal_tolabs:     ',err_thermal_tolabs
 write(6,'(a24,1x,es8.1)')   ' err_thermal_tolrel:     ',err_thermal_tolrel
 write(6,'(a24,1x,es8.1)')   ' err_damage_tolabs:      ',err_damage_tolabs
 write(6,'(a24,1x,es8.1)')   ' err_damage_tolrel:      ',err_damage_tolrel
 
!--------------------------------------------------------------------------------------------------
! spectral parameters
# 271 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
 
!--------------------------------------------------------------------------------------------------
! spectral parameters
 
 
 
 
 
 
 
!--------------------------------------------------------------------------------------------------
! sanity checks
 if (defgradtolerance <= 0.0_preal)        call io_error(301,ext_msg='defgradTolerance')
 if (ijacostiffness < 1)                   call io_error(301,ext_msg='iJacoStiffness')
 if (numerics_integrator <= 0 .or. numerics_integrator >= 6) &
                                           call io_error(301,ext_msg='integrator')
 if (numerics_unitlength <= 0.0_preal)     call io_error(301,ext_msg='unitlength')
 if (residualstiffness < 0.0_preal)        call io_error(301,ext_msg='residualStiffness')
 if (itmax <= 1)                           call io_error(301,ext_msg='itmax')
 if (itmin > itmax .or. itmin < 1)         call io_error(301,ext_msg='itmin')
 if (maxcutback < 0)                       call io_error(301,ext_msg='maxCutBack')
 if (stagitmax < 0)                        call io_error(301,ext_msg='maxStaggeredIter')
 if (err_struct_tolrel <= 0.0_preal)       call io_error(301,ext_msg='err_struct_tolRel')
 if (err_struct_tolabs <= 0.0_preal)       call io_error(301,ext_msg='err_struct_tolAbs')
 if (err_thermal_tolabs <= 0.0_preal)      call io_error(301,ext_msg='err_thermal_tolabs')
 if (err_thermal_tolrel <= 0.0_preal)      call io_error(301,ext_msg='err_thermal_tolrel')
 if (err_damage_tolabs <= 0.0_preal)       call io_error(301,ext_msg='err_damage_tolabs')
 if (err_damage_tolrel <= 0.0_preal)       call io_error(301,ext_msg='err_damage_tolrel')
# 311 "/home/damask_user/GitLabCI_Pipeline_4301/DAMASK/src/numerics.f90"
 
end subroutine numerics_init
 
end module numerics