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DAMASK_EICMD
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restructured algorithm: moved into loop to reallocate fields and replan FFTW in case resolution changes during runtime ==> regridding 

introduced parameters for selective debugging of spectral code and partly introduced the advanced divergence calculation again which is controlled by debug.config
added switch in numerics to control divergence behavior (uncorrected and corrected by phenomenological factor)
added precision directive to all values I found
This commit is contained in:
Martin Diehl 2011-11-15 17:54:18 +00:00
parent f5ad143cf4
commit 5ef73e164a
5 changed files with 583 additions and 495 deletions
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950
code/DAMASK_spectral.f90
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File diff suppressed because it is too large Load Diff

2
code/IO.f90
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@ -1416,6 +1416,8 @@ endfunction
select case (warning_ID) select case (warning_ID)
case (33_pInt) case (33_pInt)
msg = 'cannot guess along trajectory for first step of first loadcase' msg = 'cannot guess along trajectory for first step of first loadcase'
case (47_pInt)
msg = 'No valid parameter for FFTW given, using FFTW_PATIENT'
case (101_pInt) case (101_pInt)
msg = '+ crystallite debugging off... +' msg = '+ crystallite debugging off... +'
case (600_pInt) case (600_pInt)

4
code/config/debug.config
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@ -15,3 +15,7 @@ selective 1 # >0 true to switch on e,i,g selective deb
element 1 # selected element for debugging (synonymous: "el", "e") element 1 # selected element for debugging (synonymous: "el", "e")
ip 1 # selected integration point for debugging (synonymous: "integrationpoint", "i") ip 1 # selected integration point for debugging (synonymous: "integrationpoint", "i")
grain 1 # selected grain at ip for debugging (synonymous: "gr", "g") grain 1 # selected grain at ip for debugging (synonymous: "gr", "g")
### spectral solver debugging parameters ###
generalDebugSpectral 0 # > 0: general (algorithmical) debug outputs
divergenceDebugSpectral 0 # > 0: calculate more divergence measures and print them out

14
code/debug.f90
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@ -51,6 +51,7 @@ real(pReal) :: debug_jacobianMax
real(pReal) :: debug_jacobianMin real(pReal) :: debug_jacobianMin
logical :: debug_selectiveDebugger = .true. logical :: debug_selectiveDebugger = .true.
integer(pInt) :: debug_verbosity = 1_pInt integer(pInt) :: debug_verbosity = 1_pInt
integer(pInt) :: spectral_debug_verbosity = 0_pInt
CONTAINS CONTAINS
@ -122,6 +123,12 @@ subroutine debug_init()
debug_selectiveDebugger = IO_intValue(line,positions,2) > 0_pInt debug_selectiveDebugger = IO_intValue(line,positions,2) > 0_pInt
case ('verbosity') case ('verbosity')
debug_verbosity = IO_intValue(line,positions,2) debug_verbosity = IO_intValue(line,positions,2)
case ('generaldebugspectral') ! use bitwise logical and, continue with +8_pInt
if(IO_intValue(line,positions,2)) spectral_debug_verbosity = spectral_debug_verbosity + 1_pInt
case ('divergencedebugspectral')
if(IO_intValue(line,positions,2)) spectral_debug_verbosity = spectral_debug_verbosity + 2_pInt
case ('restartdebugspectral')
if(IO_intValue(line,positions,2)) spectral_debug_verbosity = spectral_debug_verbosity + 4_pInt
endselect endselect
enddo enddo
100 close(fileunit) 100 close(fileunit)
@ -164,7 +171,11 @@ subroutine debug_init()
debug_i = 0_pInt debug_i = 0_pInt
debug_g = 0_pInt debug_g = 0_pInt
endif endif
!$OMP CRITICAL (write2out) ! bitwise coded
if (iand(spectral_debug_verbosity,1_pInt)==1_pInt) write(6,'(a)') ' Spectral General Debugging'
if (iand(spectral_debug_verbosity,2_pInt)==2_pInt) write(6,'(a)') ' Spectral Divergence Debugging'
if (iand(spectral_debug_verbosity,4_pInt)==4_pInt) write(6,'(a)') ' Spectral Restart Debugging'
!$OMP END CRITICAL (write2out)
endsubroutine endsubroutine
@ -196,6 +207,7 @@ subroutine debug_reset()
debug_stressMin = huge(1.0_pReal) debug_stressMin = huge(1.0_pReal)
debug_jacobianMax = -huge(1.0_pReal) debug_jacobianMax = -huge(1.0_pReal)
debug_jacobianMin = huge(1.0_pReal) debug_jacobianMin = huge(1.0_pReal)
spectral_debug_verbosity = 0.0_pReal
endsubroutine endsubroutine

108
code/numerics.f90
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@ -70,9 +70,10 @@ real(pReal) :: relevantStrain, & ! strain
err_stress_tolrel, & ! factor to multiply with highest stress to get err_stress_tol err_stress_tolrel, & ! factor to multiply with highest stress to get err_stress_tol
fftw_timelimit, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org fftw_timelimit, & ! sets the timelimit of plan creation for FFTW, see manual on www.fftw.org
rotation_tol ! tolerance of rotation specified in loadcase rotation_tol ! tolerance of rotation specified in loadcase
character(len=64) fftw_planner_flag ! sets the planig-rigor flag, see manual on www.fftw.org character(len=64) :: fftw_planner_flag ! sets the planig-rigor flag, see manual on www.fftw.org
logical memory_efficient ! for fast execution (pre calculation of gamma_hat) logical :: memory_efficient,& ! for fast execution (pre calculation of gamma_hat)
integer(pInt) itmax , & ! maximum number of iterations divergence_correction ! correct divergence calculation in fourier space
integer(pInt) :: itmax , & ! maximum number of iterations
!* Random seeding parameters !* Random seeding parameters
@ -172,8 +173,8 @@ subroutine numerics_init()
fftw_timelimit = -1.0_pReal ! no timelimit of plan creation for FFTW fftw_timelimit = -1.0_pReal ! no timelimit of plan creation for FFTW
fftw_planner_flag ='FFTW_PATIENT' fftw_planner_flag ='FFTW_PATIENT'
rotation_tol = 1.0e-12 rotation_tol = 1.0e-12
divergence_correction = .true.
!* Random seeding parameters: added <<<updated 27.08.2009>>> !* Random seeding parameters
fixedSeed = 0_pInt fixedSeed = 0_pInt
@ -290,6 +291,8 @@ subroutine numerics_init()
fftw_planner_flag = IO_stringValue(line,positions,2) fftw_planner_flag = IO_stringValue(line,positions,2)
case ('rotation_tol') case ('rotation_tol')
rotation_tol = IO_floatValue(line,positions,2) rotation_tol = IO_floatValue(line,positions,2)
case ('divergence_correction')
divergence_correction = IO_intValue(line,positions,2) > 0_pInt
!* Random seeding parameters !* Random seeding parameters
case ('fixed_seed') case ('fixed_seed')
@ -310,69 +313,64 @@ subroutine numerics_init()
! writing parameters to output file ! writing parameters to output file
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,'(a24,x,e8.1)') 'relevantStrain: ',relevantStrain write(6,'(a24,x,e8.1)') ' relevantStrain: ',relevantStrain
write(6,'(a24,x,e8.1)') 'defgradTolerance: ',defgradTolerance write(6,'(a24,x,e8.1)') ' defgradTolerance: ',defgradTolerance
write(6,'(a24,x,i8)') 'iJacoStiffness: ',iJacoStiffness write(6,'(a24,x,i8)') ' iJacoStiffness: ',iJacoStiffness
write(6,'(a24,x,i8)') 'iJacoLpresiduum: ',iJacoLpresiduum write(6,'(a24,x,i8)') ' iJacoLpresiduum: ',iJacoLpresiduum
write(6,'(a24,x,e8.1)') 'pert_Fg: ',pert_Fg write(6,'(a24,x,e8.1)') ' pert_Fg: ',pert_Fg
write(6,'(a24,x,i8)') 'pert_method: ',pert_method write(6,'(a24,x,i8)') ' pert_method: ',pert_method
write(6,'(a24,x,i8)') 'nCryst: ',nCryst write(6,'(a24,x,i8)') ' nCryst: ',nCryst
write(6,'(a24,x,e8.1)') 'subStepMinCryst: ',subStepMinCryst write(6,'(a24,x,e8.1)') ' subStepMinCryst: ',subStepMinCryst
write(6,'(a24,x,e8.1)') 'subStepSizeCryst: ',subStepSizeCryst write(6,'(a24,x,e8.1)') ' subStepSizeCryst: ',subStepSizeCryst
write(6,'(a24,x,e8.1)') 'stepIncreaseCryst: ',stepIncreaseCryst write(6,'(a24,x,e8.1)') ' stepIncreaseCryst: ',stepIncreaseCryst
write(6,'(a24,x,i8)') 'nState: ',nState write(6,'(a24,x,i8)') ' nState: ',nState
write(6,'(a24,x,i8)') 'nStress: ',nStress write(6,'(a24,x,i8)') ' nStress: ',nStress
write(6,'(a24,x,e8.1)') 'rTol_crystalliteState: ',rTol_crystalliteState write(6,'(a24,x,e8.1)') ' rTol_crystalliteState: ',rTol_crystalliteState
write(6,'(a24,x,e8.1)') 'rTol_crystalliteTemp: ',rTol_crystalliteTemperature write(6,'(a24,x,e8.1)') ' rTol_crystalliteTemp: ',rTol_crystalliteTemperature
write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress write(6,'(a24,x,e8.1)') ' rTol_crystalliteStress: ',rTol_crystalliteStress
write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress write(6,'(a24,x,e8.1)') ' aTol_crystalliteStress: ',aTol_crystalliteStress
write(6,'(a24,2(x,i8))')'integrator: ',numerics_integrator write(6,'(a24,2(x,i8),/)')' integrator: ',numerics_integrator
write(6,*)
write(6,'(a24,x,i8)') 'nHomog: ',nHomog write(6,'(a24,x,i8)') ' nHomog: ',nHomog
write(6,'(a24,x,e8.1)') 'subStepMinHomog: ',subStepMinHomog write(6,'(a24,x,e8.1)') ' subStepMinHomog: ',subStepMinHomog
write(6,'(a24,x,e8.1)') 'subStepSizeHomog: ',subStepSizeHomog write(6,'(a24,x,e8.1)') ' subStepSizeHomog: ',subStepSizeHomog
write(6,'(a24,x,e8.1)') 'stepIncreaseHomog: ',stepIncreaseHomog write(6,'(a24,x,e8.1)') ' stepIncreaseHomog: ',stepIncreaseHomog
write(6,'(a24,x,i8)') 'nMPstate: ',nMPstate write(6,'(a24,x,i8,/)') ' nMPstate: ',nMPstate
write(6,*)
!* RGC parameters !* RGC parameters
write(6,'(a24,x,e8.1)') 'aTol_RGC: ',absTol_RGC write(6,'(a24,x,e8.1)') ' aTol_RGC: ',absTol_RGC
write(6,'(a24,x,e8.1)') 'rTol_RGC: ',relTol_RGC write(6,'(a24,x,e8.1)') ' rTol_RGC: ',relTol_RGC
write(6,'(a24,x,e8.1)') 'aMax_RGC: ',absMax_RGC write(6,'(a24,x,e8.1)') ' aMax_RGC: ',absMax_RGC
write(6,'(a24,x,e8.1)') 'rMax_RGC: ',relMax_RGC write(6,'(a24,x,e8.1)') ' rMax_RGC: ',relMax_RGC
write(6,'(a24,x,e8.1)') 'perturbPenalty_RGC: ',pPert_RGC write(6,'(a24,x,e8.1)') ' perturbPenalty_RGC: ',pPert_RGC
write(6,'(a24,x,e8.1)') 'relevantMismatch_RGC: ',xSmoo_RGC write(6,'(a24,x,e8.1)') ' relevantMismatch_RGC: ',xSmoo_RGC
write(6,'(a24,x,e8.1)') 'viscosityrate_RGC: ',viscPower_RGC write(6,'(a24,x,e8.1)') ' viscosityrate_RGC: ',viscPower_RGC
write(6,'(a24,x,e8.1)') 'viscositymodulus_RGC: ',viscModus_RGC write(6,'(a24,x,e8.1)') ' viscositymodulus_RGC: ',viscModus_RGC
write(6,'(a24,x,e8.1)') 'maxrelaxation_RGC: ',maxdRelax_RGC write(6,'(a24,x,e8.1)') ' maxrelaxation_RGC: ',maxdRelax_RGC
write(6,'(a24,x,e8.1)') 'maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC write(6,'(a24,x,e8.1)') ' maxVolDiscrepancy_RGC: ',maxVolDiscr_RGC
write(6,'(a24,x,e8.1)') 'volDiscrepancyMod_RGC: ',volDiscrMod_RGC write(6,'(a24,x,e8.1)') ' volDiscrepancyMod_RGC: ',volDiscrMod_RGC
write(6,'(a24,x,e8.1)') 'discrepancyPower_RGC: ',volDiscrPow_RGC write(6,'(a24,x,e8.1,/)') ' discrepancyPower_RGC: ',volDiscrPow_RGC
write(6,*)
!* spectral parameters !* spectral parameters
write(6,'(a24,x,e8.1)') 'err_div_tol: ',err_div_tol write(6,'(a24,x,e8.1)') ' err_div_tol: ',err_div_tol
write(6,'(a24,x,e8.1)') 'err_stress_tolrel: ',err_stress_tolrel write(6,'(a24,x,e8.1)') ' err_stress_tolrel: ',err_stress_tolrel
write(6,'(a24,x,i8)') 'itmax: ',itmax write(6,'(a24,x,i8)') ' itmax: ',itmax
write(6,'(a24,x,L8)') 'memory_efficient: ',memory_efficient write(6,'(a24,x,L8)') ' memory_efficient: ',memory_efficient
if(fftw_timelimit<0) then if(fftw_timelimit<0) then
write(6,'(a24,x,L8)') 'fftw_timelimit: ',.false. write(6,'(a24,x,L8)') ' fftw_timelimit: ',.false.
else else
write(6,'(a24,x,e8.1)') 'fftw_timelimit: ',fftw_timelimit write(6,'(a24,x,e8.1)') ' fftw_timelimit: ',fftw_timelimit
endif endif
write(6,'(a24,x,a)') 'fftw_planner_flag: ',trim(fftw_planner_flag) write(6,'(a24,x,a)') ' fftw_planner_flag: ',trim(fftw_planner_flag)
write(6,'(a24,x,e8.1)') 'rotation_tol: ',rotation_tol write(6,'(a24,x,e8.1)') ' rotation_tol: ',rotation_tol
write(6,*) write(6,'(a24,x,L8,/)') ' divergence_correction: ',divergence_correction
!* Random seeding parameters !* Random seeding parameters
write(6,'(a24,x,i16)') 'fixed_seed: ',fixedSeed write(6,'(a24,x,i16,/)') ' fixed_seed: ',fixedSeed
write(6,*)
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
!* openMP parameter !* openMP parameter
!$ write(6,'(a24,x,i8)') 'number of threads: ',DAMASK_NumThreadsInt !$ write(6,'(a24,x,i8,/)') ' number of threads: ',DAMASK_NumThreadsInt
!$ write(6,*)
! sanity check ! sanity check
if (relevantStrain <= 0.0_pReal) call IO_error(260) if (relevantStrain <= 0.0_pReal) call IO_error(260)