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DAMASK_EICMD
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made analytic tangent default for spectral solver 

removed possibility to compile without PETSc (a lot of effort for little/no use)
This commit is contained in:
Martin Diehl 2014-10-01 12:29:12 +00:00
parent 1996105c7f
commit baa08d8155
4 changed files with 17 additions and 70 deletions
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10
code/DAMASK_spectral_driver.f90
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@ -60,11 +60,9 @@ program DAMASK_spectral_Driver
tSolutionState, & tSolutionState, &
cutBack cutBack
use DAMASK_spectral_SolverBasic use DAMASK_spectral_SolverBasic
#ifdef PETSc
use DAMASK_spectral_SolverBasicPETSC use DAMASK_spectral_SolverBasicPETSC
use DAMASK_spectral_SolverAL use DAMASK_spectral_SolverAL
use DAMASK_spectral_SolverPolarisation use DAMASK_spectral_SolverPolarisation
#endif
implicit none implicit none
type tLoadCase type tLoadCase
@ -316,7 +314,6 @@ program DAMASK_spectral_Driver
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasic_label) case (DAMASK_spectral_SolverBasic_label)
call basic_init(loadCases(1)%temperature) call basic_init(loadCases(1)%temperature)
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSc_label) case (DAMASK_spectral_SolverBasicPETSc_label)
call basicPETSc_init(loadCases(1)%temperature) call basicPETSc_init(loadCases(1)%temperature)
case (DAMASK_spectral_SolverAL_label) case (DAMASK_spectral_SolverAL_label)
@ -327,7 +324,6 @@ program DAMASK_spectral_Driver
if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) & if(iand(debug_level(debug_spectral),debug_levelBasic)/= 0) &
call IO_warning(42_pInt, ext_msg='debug Divergence') call IO_warning(42_pInt, ext_msg='debug Divergence')
call Polarisation_init(loadCases(1)%temperature) call Polarisation_init(loadCases(1)%temperature)
#endif
case default case default
call IO_error(error_ID = 891, ext_msg = trim(spectral_solver)) call IO_error(error_ID = 891, ext_msg = trim(spectral_solver))
end select end select
@ -410,7 +406,6 @@ program DAMASK_spectral_Driver
! forward solution ! forward solution
select case(spectral_solver) select case(spectral_solver)
case (DAMASK_spectral_SolverBasic_label) case (DAMASK_spectral_SolverBasic_label)
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSC_label) case (DAMASK_spectral_SolverBasicPETSC_label)
call BasicPETSC_forward (& call BasicPETSC_forward (&
guess,timeinc,timeIncOld,remainingLoadCaseTime, & guess,timeinc,timeIncOld,remainingLoadCaseTime, &
@ -431,7 +426,6 @@ program DAMASK_spectral_Driver
P_BC = loadCases(currentLoadCase)%P, & P_BC = loadCases(currentLoadCase)%P, &
F_BC = loadCases(currentLoadCase)%deformation, & F_BC = loadCases(currentLoadCase)%deformation, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
#endif
end select end select
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -461,7 +455,6 @@ program DAMASK_spectral_Driver
F_BC = loadCases(currentLoadCase)%deformation, & F_BC = loadCases(currentLoadCase)%deformation, &
temperature_bc = loadCases(currentLoadCase)%temperature, & temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation) rotation_BC = loadCases(currentLoadCase)%rotation)
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSC_label) case (DAMASK_spectral_SolverBasicPETSC_label)
solres = BasicPETSC_solution (& solres = BasicPETSC_solution (&
incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, & incInfo,guess,timeinc,timeIncOld,remainingLoadCaseTime, &
@ -486,7 +479,6 @@ program DAMASK_spectral_Driver
temperature_bc = loadCases(currentLoadCase)%temperature, & temperature_bc = loadCases(currentLoadCase)%temperature, &
rotation_BC = loadCases(currentLoadCase)%rotation, & rotation_BC = loadCases(currentLoadCase)%rotation, &
density = loadCases(currentLoadCase)%density) density = loadCases(currentLoadCase)%density)
#endif
end select end select
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
@ -549,14 +541,12 @@ program DAMASK_spectral_Driver
select case (spectral_solver) select case (spectral_solver)
case (DAMASK_spectral_SolverBasic_label) case (DAMASK_spectral_SolverBasic_label)
call basic_destroy() call basic_destroy()
#ifdef PETSc
case (DAMASK_spectral_SolverBasicPETSC_label) case (DAMASK_spectral_SolverBasicPETSC_label)
call BasicPETSC_destroy() call BasicPETSC_destroy()
case (DAMASK_spectral_SolverAL_label) case (DAMASK_spectral_SolverAL_label)
call AL_destroy() call AL_destroy()
case (DAMASK_spectral_SolverPolarisation_label) case (DAMASK_spectral_SolverPolarisation_label)
call Polarisation_destroy() call Polarisation_destroy()
#endif
end select end select
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------

2
code/IO.f90
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@ -1717,8 +1717,6 @@ subroutine IO_warning(warning_ID,el,ip,g,ext_msg)
msg = 'could not get $DAMASK_NUM_THREADS' msg = 'could not get $DAMASK_NUM_THREADS'
case (40_pInt) case (40_pInt)
msg = 'found spectral solver parameter' msg = 'found spectral solver parameter'
case (41_pInt)
msg = 'found PETSc solver parameter'
case (42_pInt) case (42_pInt)
msg = 'parameter has no effect' msg = 'parameter has no effect'
case (43_pInt) case (43_pInt)

42
code/Makefile
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@ -26,18 +26,11 @@ else
include /etc/damask.conf include /etc/damask.conf
endif endif
ifdef PETSC_DIR
include $(PETSC_DIR)/conf/variables include $(PETSC_DIR)/conf/variables
INCLUDE_DIRS :=$(PETSC_FC_INCLUDES) -DPETSc -I../lib INCLUDE_DIRS :=$(PETSC_FC_INCLUDES) -DPETSc -I../lib
LIBRARIES :=$(PETSC_WITH_EXTERNAL_LIB) LIBRARIES :=$(PETSC_WITH_EXTERNAL_LIB)
COMPILERNAME ?= $(FC) COMPILERNAME ?= $(FC)
LINKERNAME ?= $(FLINKER) LINKERNAME ?= $(FLINKER)
else
COMPILERNAME ?= $(F90)
LINKERNAME ?= $(F90)
INCLUDE_DIRS :=-I../lib
LIBRARIES :=-lfftw3
endif
LIB_DIRS :=-L$(FFTW_ROOT)/lib64 -L$(FFTW_ROOT)/lib LIB_DIRS :=-L$(FFTW_ROOT)/lib64 -L$(FFTW_ROOT)/lib
RUN_PATH :=-Wl,-rpath,$(FFTW_ROOT)/lib64,-rpath,$(FFTW_ROOT)/lib RUN_PATH :=-Wl,-rpath,$(FFTW_ROOT)/lib64,-rpath,$(FFTW_ROOT)/lib
@ -90,27 +83,6 @@ LIBRARIES +=-liomp5
endif endif
endif endif
ifndef PETSC_DIR #petsc provides linking options agains selected blas/lapack already
ifneq "x$(IMKL_ROOT)" "x"
LIB_DIRS +=-L$(IMKL_ROOT)/lib/intel64
RUN_PATH :=$(RUN_PATH),-rpath,$(IMKL_ROOT)/lib/intel64
INCLUDE_DIRS +=-I$(IMKL_ROOT)/include
LIBRARIES +=-lmkl_$(IMKL_COMPILER_$(F90))_lp64 -lmkl_core -lmkl_sequential -lm
else
ifneq "x$(ACML_ROOT)" "x"
LIB_DIRS +=-L$(ACML_ROOT)/$(F90)64/lib
RUN_PATH :=$(RUN_PATH),-rpath,$(ACML_ROOT)/$(F90)64/lib
LIBRARIES +=-lacml
else
ifneq "x$(LAPACK_ROOT)" "x"
LIB_DIRS +=-L$(LAPACK_ROOT)/lib64 -L$(LAPACK_ROOT)/lib
RUN_PATH :=$(RUN_PATH),-rpath,$(LAPACK_ROOT)/lib64,-rpath,$(LAPACK_ROOT)/lib
LIBRARIES +=-llapack
endif
endif
endif
endif
#hdf5 #hdf5
ifeq "$(HDF5)" "ON" ifeq "$(HDF5)" "ON"
LIBRARIES +=-lhdf5hl_fortran -lhdf5_hl -lhdf5_fortran -lhdf5 LIBRARIES +=-lhdf5hl_fortran -lhdf5_hl -lhdf5_fortran -lhdf5
@ -380,20 +352,18 @@ SPECTRAL_FILES = prec.o DAMASK_interface.o IO.o libs.o numerics.o debug.o math.o
FEsolving.o mesh.o material.o lattice.o \ FEsolving.o mesh.o material.o lattice.o \
$(DAMAGE_FILES) $(THERMAL_FILES) $(CONSTITUTIVE_FILES) \ $(DAMAGE_FILES) $(THERMAL_FILES) $(CONSTITUTIVE_FILES) \
crystallite.o $(HOMOGENIZATION_FILES) CPFEM.o \ crystallite.o $(HOMOGENIZATION_FILES) CPFEM.o \
DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o \
ifdef PETSC_DIR DAMASK_spectral_solverAL.o DAMASK_spectral_solverBasicPETSc.o DAMASK_spectral_solverPolarisation.o
PETSC_FILES = DAMASK_spectral_solverAL.o \
DAMASK_spectral_solverBasicPETSc.o \
DAMASK_spectral_solverPolarisation.o
SPECTRAL_FILES += $(PETSC_FILES)
endif
DAMASK_spectral.exe: DAMASK_spectral_driver.o DAMASK_spectral.exe: DAMASK_spectral_driver.o
$(PREFIX) $(LINKERNAME) $(OPENMP_FLAG_$(F90)) $(LINK_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) \ $(PREFIX) $(LINKERNAME) $(OPENMP_FLAG_$(F90)) $(LINK_OPTIONS_$(F90)) $(STANDARD_CHECK_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) \
-o DAMASK_spectral.exe DAMASK_spectral_driver.o \ -o DAMASK_spectral.exe DAMASK_spectral_driver.o \
$(SPECTRAL_FILES) $(LIBRARIES) $(LIB_DIRS) $(RUN_PATH) $(SUFFIX) $(SPECTRAL_FILES) $(LIBRARIES) $(LIB_DIRS) $(RUN_PATH) $(SUFFIX)
DAMASK_spectral_driver.o: DAMASK_spectral_driver.f90 DAMASK_spectral_solverBasic.o $(PETSC_FILES) DAMASK_spectral_driver.o: DAMASK_spectral_driver.f90 DAMASK_spectral_solverBasic.o \
DAMASK_spectral_solverAL.o \
DAMASK_spectral_solverBasicPETSc.o \
DAMASK_spectral_solverPolarisation.o
$(PREFIX) $(COMPILERNAME) $(COMPILE_MAXOPTI) -c DAMASK_spectral_driver.f90 $(SUFFIX) $(PREFIX) $(COMPILERNAME) $(COMPILE_MAXOPTI) -c DAMASK_spectral_driver.f90 $(SUFFIX)
DAMASK_spectral_solverAL.o: DAMASK_spectral_solverAL.f90 \ DAMASK_spectral_solverAL.o: DAMASK_spectral_solverAL.f90 \

27
code/numerics.f90
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@ -63,7 +63,11 @@ module numerics
volDiscrPow_RGC = 5.0_pReal, & !< powerlaw penalty for volume discrepancy volDiscrPow_RGC = 5.0_pReal, & !< powerlaw penalty for volume discrepancy
charLength = 1.0_pReal !< characteristic length scale for gradient problems charLength = 1.0_pReal !< characteristic length scale for gradient problems
logical, protected, public :: & logical, protected, public :: &
#ifdef Spectral
analyticJaco = .true., & !< use analytic Jacobian or perturbation, Default for Spectral solver .true.:
#else
analyticJaco = .false., & !< use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations analyticJaco = .false., & !< use analytic Jacobian or perturbation, Default .false.: calculate Jacobian using perturbations
#endif
usePingPong = .true., & usePingPong = .true., &
numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity numerics_timeSyncing = .false. !< flag indicating if time synchronization in crystallite is used for nonlocal plasticity
@ -182,12 +186,10 @@ subroutine numerics_init
#if defined(Spectral) || defined(FEM) #if defined(Spectral) || defined(FEM)
!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if using the spectral solver !$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if using the spectral solver
#endif
implicit none implicit none
#ifndef Spectral #else
#ifndef FEM implicit none
!$ include "omp_lib.h" ! use the not F90 standard conforming include file to prevent crashes with some versions of MSC.Marc !$ include "omp_lib.h" ! use the not F90 standard conforming include file to prevent crashes with some versions of MSC.Marc
#endif
#endif #endif
integer(pInt), parameter :: FILEUNIT = 300_pInt ,& integer(pInt), parameter :: FILEUNIT = 300_pInt ,&
maxNchunks = 2_pInt maxNchunks = 2_pInt
@ -360,7 +362,6 @@ subroutine numerics_init
divergence_correction = IO_intValue(line,positions,2_pInt) divergence_correction = IO_intValue(line,positions,2_pInt)
case ('update_gamma') case ('update_gamma')
update_gamma = IO_intValue(line,positions,2_pInt) > 0_pInt update_gamma = IO_intValue(line,positions,2_pInt) > 0_pInt
#ifdef PETSc
case ('petsc_options') case ('petsc_options')
petsc_options = trim(line(positions(4):)) petsc_options = trim(line(positions(4):))
case ('spectralsolver','myspectralsolver') case ('spectralsolver','myspectralsolver')
@ -373,14 +374,7 @@ subroutine numerics_init
polarAlpha = IO_floatValue(line,positions,2_pInt) polarAlpha = IO_floatValue(line,positions,2_pInt)
case ('polarbeta') case ('polarbeta')
polarBeta = IO_floatValue(line,positions,2_pInt) polarBeta = IO_floatValue(line,positions,2_pInt)
#endif #else
#ifndef PETSc
case ('spectralsolver', 'myspectralsolver', 'petsc_options', &
'err_curl_tolabs','err_curl_tolrel','polaralpha','polarBeta') ! found PETSc parameter, but compiled without PETSc
call IO_warning(41_pInt,ext_msg=tag)
#endif
#endif
#ifndef Spectral
case ('err_div_tolabs','err_div_tolrel','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build case ('err_div_tolabs','err_div_tolrel','err_stress_tolrel','err_stress_tolabs',& ! found spectral parameter for FEM build
'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode', & 'itmax', 'itmin','memory_efficient','fftw_timelimit','fftw_plan_mode', &
'divergence_correction','update_gamma','spectralfilter','myfilter', & 'divergence_correction','update_gamma','spectralfilter','myfilter', &
@ -418,8 +412,7 @@ subroutine numerics_init
damageorder = IO_intValue(line,positions,2_pInt) damageorder = IO_intValue(line,positions,2_pInt)
case ('petsc_optionsfem') case ('petsc_optionsfem')
petsc_optionsFEM = trim(line(positions(4):)) petsc_optionsFEM = trim(line(positions(4):))
#endif #else
#ifndef FEM
case ('err_struct_tolabs','err_struct_tolrel','err_thermal_tol','err_damage_tol','residualstiffness',& ! found spectral parameter for FEM build case ('err_struct_tolabs','err_struct_tolrel','err_thermal_tol','err_damage_tol','residualstiffness',& ! found spectral parameter for FEM build
'itmaxfem', 'itminfem','maxcutbackfem','integrationorder','structorder','thermalorder', & 'itmaxfem', 'itminfem','maxcutbackfem','integrationorder','structorder','thermalorder', &
'damageorder','petsc_optionsfem') 'damageorder','petsc_optionsfem')
@ -529,7 +522,6 @@ subroutine numerics_init
write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel write(6,'(a24,1x,es8.1)') ' err_stress_tolRel: ',err_stress_tolRel
write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs write(6,'(a24,1x,es8.1)') ' err_div_tolAbs: ',err_div_tolAbs
write(6,'(a24,1x,es8.1)') ' err_div_tolRel: ',err_div_tolRel write(6,'(a24,1x,es8.1)') ' err_div_tolRel: ',err_div_tolRel
#ifdef PETSc
write(6,'(a24,1x,es8.1)') ' err_curl_tolAbs: ',err_curl_tolAbs write(6,'(a24,1x,es8.1)') ' err_curl_tolAbs: ',err_curl_tolAbs
write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel write(6,'(a24,1x,es8.1)') ' err_curl_tolRel: ',err_curl_tolRel
write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha write(6,'(a24,1x,es8.1)') ' polarAlpha: ',polarAlpha
@ -537,7 +529,6 @@ subroutine numerics_init
write(6,'(a24,1x,a)') ' spectral solver: ',trim(spectral_solver) write(6,'(a24,1x,a)') ' spectral solver: ',trim(spectral_solver)
write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options) write(6,'(a24,1x,a)') ' PETSc_options: ',trim(petsc_options)
#endif #endif
#endif
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! spectral parameters ! spectral parameters
@ -610,7 +601,6 @@ subroutine numerics_init
if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs') if (err_stress_tolabs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_stress_tolAbs')
if (err_div_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel') if (err_div_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolRel')
if (err_div_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolAbs') if (err_div_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_div_tolAbs')
#ifdef PETSc
if (err_curl_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolRel') if (err_curl_tolRel <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolRel')
if (err_curl_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolAbs') if (err_curl_tolAbs <= 0.0_pReal) call IO_error(301_pInt,ext_msg='err_curl_tolAbs')
if (polarAlpha <= 0.0_pReal .or. & if (polarAlpha <= 0.0_pReal .or. &
@ -618,7 +608,6 @@ subroutine numerics_init
if (polarBeta < 0.0_pReal .or. & if (polarBeta < 0.0_pReal .or. &
polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta') polarBeta > 2.0_pReal) call IO_error(301_pInt,ext_msg='polarBeta')
#endif #endif
#endif
#ifdef FEM #ifdef FEM
if (itmaxFEM <= 1_pInt) call IO_error(301_pInt,ext_msg='itmaxFEM') if (itmaxFEM <= 1_pInt) call IO_error(301_pInt,ext_msg='itmaxFEM')
if (itminFEM > itmaxFEM .or. & if (itminFEM > itmaxFEM .or. &