diff --git a/src/numerics.f90 b/src/numerics.f90 index 9727a04a7..fbc5f52dc 100644 --- a/src/numerics.f90 +++ b/src/numerics.f90 @@ -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') diff --git a/src/spectral_utilities.f90 b/src/spectral_utilities.f90 index dd753dc7c..5511de5cd 100644 --- a/src/spectral_utilities.f90 +++ b/src/spectral_utilities.f90 @@ -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, &