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DAMASK_EICMD
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cleaning

This commit is contained in:
Martin Diehl 2019-03-07 07:09:00 +01:00
parent ae3de821b4
commit 21bbba1575
2 changed files with 2 additions and 64 deletions
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58
src/numerics.f90
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@ -70,22 +70,12 @@ module numerics
err_thermal_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for thermal equilibrium
err_thermal_tolRel = 1.0e-6_pReal, & !< relative tolerance for thermal equilibrium
err_damage_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for damage evolution
err_damage_tolRel = 1.0e-6_pReal, & !< relative tolerance for damage evolution
err_vacancyflux_tolAbs = 1.0e-8_pReal, & !< absolute tolerance for vacancy transport
err_vacancyflux_tolRel = 1.0e-6_pReal, & !< relative tolerance for vacancy transport
err_porosity_tolAbs = 1.0e-2_pReal, & !< absolute tolerance for porosity evolution
err_porosity_tolRel = 1.0e-6_pReal, & !< relative tolerance for porosity evolution
err_hydrogenflux_tolAbs = 1.0e-8_pReal, & !< absolute tolerance for hydrogen transport
err_hydrogenflux_tolRel = 1.0e-6_pReal, & !< relative tolerance for hydrogen transport
vacancyBoundPenalty = 1.0e+4_pReal, & !< penalty to enforce 0 < Cv < 1
hydrogenBoundPenalty = 1.0e+4_pReal !< penalty to enforce 0 < Ch < 1
err_damage_tolRel = 1.0e-6_pReal !< relative tolerance for damage evolution
integer(pInt), protected, public :: &
itmax = 250_pInt, & !< maximum number of iterations
itmin = 1_pInt, & !< minimum number of iterations
stagItMax = 10_pInt, & !< max number of field level staggered iterations
maxCutBack = 3_pInt, & !< max number of cut backs
vacancyPolyOrder = 10_pInt, & !< order of polynomial approximation of entropic contribution to vacancy chemical potential
hydrogenPolyOrder = 10_pInt !< order of polynomial approximation of entropic contribution to hydrogen chemical potential
maxCutBack = 3_pInt !< max number of cut backs
!--------------------------------------------------------------------------------------------------
! spectral parameters:
@ -153,11 +143,6 @@ contains
! a sanity check
!--------------------------------------------------------------------------------------------------
subroutine numerics_init
#if defined(__GFORTRAN__) || __INTEL_COMPILER >= 1800
use, intrinsic :: iso_fortran_env, only: &
compiler_version, &
compiler_options
#endif
use IO, only: &
IO_read, &
IO_error, &
@ -191,8 +176,6 @@ subroutine numerics_init
call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
#endif
write(6,'(/,a)') ' <<<+- numerics init -+>>>'
write(6,'(a15,a)') ' Current time: ',IO_timeStamp()
#include "compilation_info.f90"
!$ 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
@ -327,22 +310,6 @@ subroutine numerics_init
err_damage_tolabs = IO_floatValue(line,chunkPos,2_pInt)
case ('err_damage_tolrel')
err_damage_tolrel = IO_floatValue(line,chunkPos,2_pInt)
case ('err_vacancyflux_tolabs')
err_vacancyflux_tolabs = IO_floatValue(line,chunkPos,2_pInt)
case ('err_vacancyflux_tolrel')
err_vacancyflux_tolrel = IO_floatValue(line,chunkPos,2_pInt)
case ('err_porosity_tolabs')
err_porosity_tolabs = IO_floatValue(line,chunkPos,2_pInt)
case ('err_porosity_tolrel')
err_porosity_tolrel = IO_floatValue(line,chunkPos,2_pInt)
case ('err_hydrogenflux_tolabs')
err_hydrogenflux_tolabs = IO_floatValue(line,chunkPos,2_pInt)
case ('err_hydrogenflux_tolrel')
err_hydrogenflux_tolrel = IO_floatValue(line,chunkPos,2_pInt)
case ('vacancyboundpenalty')
vacancyBoundPenalty = IO_floatValue(line,chunkPos,2_pInt)
case ('hydrogenboundpenalty')
hydrogenBoundPenalty = IO_floatValue(line,chunkPos,2_pInt)
case ('itmax')
itmax = IO_intValue(line,chunkPos,2_pInt)
case ('itmin')
@ -351,10 +318,6 @@ subroutine numerics_init
maxCutBack = IO_intValue(line,chunkPos,2_pInt)
case ('maxstaggerediter')
stagItMax = IO_intValue(line,chunkPos,2_pInt)
case ('vacancypolyorder')
vacancyPolyOrder = IO_intValue(line,chunkPos,2_pInt)
case ('hydrogenpolyorder')
hydrogenPolyOrder = IO_intValue(line,chunkPos,2_pInt)
!--------------------------------------------------------------------------------------------------
! spectral parameters
@ -509,22 +472,12 @@ subroutine numerics_init
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,i8)') ' vacancyPolyOrder: ',vacancyPolyOrder
write(6,'(a24,1x,i8)') ' hydrogenPolyOrder: ',hydrogenPolyOrder
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
write(6,'(a24,1x,es8.1)') ' err_vacancyflux_tolabs: ',err_vacancyflux_tolabs
write(6,'(a24,1x,es8.1)') ' err_vacancyflux_tolrel: ',err_vacancyflux_tolrel
write(6,'(a24,1x,es8.1)') ' err_porosity_tolabs: ',err_porosity_tolabs
write(6,'(a24,1x,es8.1)') ' err_porosity_tolrel: ',err_porosity_tolrel
write(6,'(a24,1x,es8.1)') ' err_hydrogenflux_tolabs:',err_hydrogenflux_tolabs
write(6,'(a24,1x,es8.1)') ' err_hydrogenflux_tolrel:',err_hydrogenflux_tolrel
write(6,'(a24,1x,es8.1)') ' vacancyBoundPenalty: ',vacancyBoundPenalty
write(6,'(a24,1x,es8.1)') ' hydrogenBoundPenalty: ',hydrogenBoundPenalty
!--------------------------------------------------------------------------------------------------
! spectral parameters
@ -608,19 +561,12 @@ subroutine numerics_init
if (itmin > itmax .or. itmin < 1_pInt) call IO_error(301_pInt,ext_msg='itmin')
if (maxCutBack < 0_pInt) call IO_error(301_pInt,ext_msg='maxCutBack')
if (stagItMax < 0_pInt) call IO_error(301_pInt,ext_msg='maxStaggeredIter')
if (vacancyPolyOrder < 0_pInt) call IO_error(301_pInt,ext_msg='vacancyPolyOrder')
if (err_struct_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_struct_tolRel')
if (err_struct_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_struct_tolAbs')
if (err_thermal_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_thermal_tolabs')
if (err_thermal_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_thermal_tolrel')
if (err_damage_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolabs')
if (err_damage_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_damage_tolrel')
if (err_vacancyflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_vacancyflux_tolabs')
if (err_vacancyflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_vacancyflux_tolrel')
if (err_porosity_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_porosity_tolabs')
if (err_porosity_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_porosity_tolrel')
if (err_hydrogenflux_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolabs')
if (err_hydrogenflux_tolrel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_hydrogenflux_tolrel')
#ifdef Spectral
if (divergence_correction < 0_pInt .or. &
divergence_correction > 2_pInt) call IO_error(301_pInt,ext_msg='divergence_correction')

8
src/spectral_utilities.f90
View File

@ -102,14 +102,6 @@ module spectral_utilities
real(pReal) :: timeincOld
end type tSolutionParams
type, public :: phaseFieldDataBin !< set of parameters defining a phase field
real(pReal) :: diffusion = 0.0_pReal, & !< thermal conductivity
mobility = 0.0_pReal, & !< thermal mobility
phaseField0 = 0.0_pReal !< homogeneous damage field starting condition
logical :: active = .false.
character(len=64) :: label = ''
end type phaseFieldDataBin
enum, bind(c)
enumerator :: DERIVATIVE_CONTINUOUS_ID, &
DERIVATIVE_CENTRAL_DIFF_ID, &