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DAMASK_EICMD
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some comments and minor improvements. 

removed tol_gravityNodePos from prec because it's not used
tol_math_check is now used by spectral driver to check rotation
This commit is contained in:
Martin Diehl 2013-09-14 10:59:35 +00:00
parent 3eb8aa1362
commit 3bf0ed84c8
6 changed files with 31 additions and 28 deletions
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8
code/DAMASK_spectral_driver.f90
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@ -31,7 +31,8 @@ program DAMASK_spectral_Driver
iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment) iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran >4.6 at the moment)
use prec, only: & use prec, only: &
pInt, & pInt, &
pReal pReal, &
tol_math_check
use DAMASK_interface, only: & use DAMASK_interface, only: &
DAMASK_interface_init, & DAMASK_interface_init, &
loadCaseFile, & loadCaseFile, &
@ -66,7 +67,6 @@ program DAMASK_spectral_Driver
restartInc restartInc
use numerics, only: & use numerics, only: &
maxCutBack, & maxCutBack, &
rotation_tol, &
mySpectralSolver, & mySpectralSolver, &
regridMode regridMode
use homogenization, only: & use homogenization, only: &
@ -310,9 +310,9 @@ program DAMASK_spectral_Driver
transpose(loadCases(currentLoadCase)%P%maskLogical)) transpose(loadCases(currentLoadCase)%P%maskLogical))
if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, & if (any(abs(math_mul33x33(loadCases(currentLoadCase)%rotation, &
math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) >& math_transpose33(loadCases(currentLoadCase)%rotation))-math_I3) >&
reshape(spread(rotation_tol,1,9),[ 3,3]))& reshape(spread(tol_math_check,1,9),[ 3,3]))&
.or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > & .or. abs(math_det33(loadCases(currentLoadCase)%rotation)) > &
1.0_pReal + rotation_tol) errorID = 846_pInt ! given rotation matrix contains strain 1.0_pReal + tol_math_check) errorID = 846_pInt ! given rotation matrix contains strain
if (any(loadCases(currentLoadCase)%rotation /= math_I3)) & if (any(loadCases(currentLoadCase)%rotation /= math_I3)) &
write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',& write(6,'(2x,a,/,3(3(3x,f12.7,1x)/))',advance='no') 'rotation of loadframe:',&
math_transpose33(loadCases(currentLoadCase)%rotation) math_transpose33(loadCases(currentLoadCase)%rotation)

22
code/DAMASK_spectral_interface.f90
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@ -71,7 +71,6 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment) use, intrinsic :: iso_fortran_env ! to get compiler_version and compiler_options (at least for gfortran 4.6 at the moment)
implicit none implicit none
character(len=1024), optional, intent(in) :: & character(len=1024), optional, intent(in) :: &
loadCaseParameterIn, & !< if using the f2py variant, the -l argument of DAMASK_spectral.exe loadCaseParameterIn, & !< if using the f2py variant, the -l argument of DAMASK_spectral.exe
geometryParameterIn !< if using the f2py variant, the -g argument of DAMASK_spectral.exe geometryParameterIn !< if using the f2py variant, the -g argument of DAMASK_spectral.exe
@ -86,7 +85,7 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
integer :: & integer :: &
i i
integer, parameter :: & integer, parameter :: &
maxNchunks = 128 !< DAMASK_spectral + (l,g,w,r)*2 + h maxNchunks = 128 !< DAMASK_spectral + (l,g,w,r)*2 + h
integer, dimension(1+ 2* maxNchunks) :: & integer, dimension(1+ 2* maxNchunks) :: &
positions positions
integer, dimension(8) :: & integer, dimension(8) :: &
@ -118,7 +117,7 @@ subroutine DAMASK_interface_init(loadCaseParameterIn,geometryParameterIn)
call get_command(commandLine) call get_command(commandLine)
positions = IIO_stringPos(commandLine,maxNchunks) positions = IIO_stringPos(commandLine,maxNchunks)
do i = 1, positions(1) do i = 1, positions(1)
tag = IIO_lc(IIO_stringValue(commandLine,positions,i)) ! extract key tag = IIO_lc(IIO_stringValue(commandLine,positions,i)) ! extract key
select case(tag) select case(tag)
case ('-h','--help') case ('-h','--help')
write(6,'(a)') ' #######################################################################' write(6,'(a)') ' #######################################################################'
@ -230,14 +229,15 @@ end subroutine DAMASK_interface_init
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief extract working directory from loadcase file possibly based on current working dir !> @brief extract working directory from given argument or from location of geometry file,
!> @todo change working directory with call chdir(storeWorkingDirectory)? !! possibly converting relative arguments to absolut path
!> @todo change working directory with call chdir(storeWorkingDirectory)?
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryArg) character(len=1024) function storeWorkingDirectory(workingDirectoryArg,geometryArg)
implicit none implicit none
character(len=*), intent(in) :: workingDirectoryArg character(len=*), intent(in) :: workingDirectoryArg !< working directory argument
character(len=*), intent(in) :: geometryArg character(len=*), intent(in) :: geometryArg !< geometry argument
character(len=1024) :: cwd character(len=1024) :: cwd
character :: pathSep character :: pathSep
logical :: dirExists logical :: dirExists
@ -278,7 +278,6 @@ end function storeWorkingDirectory
character(len=1024) function getSolverWorkingDirectoryName() character(len=1024) function getSolverWorkingDirectoryName()
implicit none implicit none
getSolverWorkingDirectoryName = workingDirectory getSolverWorkingDirectoryName = workingDirectory
end function getSolverWorkingDirectoryName end function getSolverWorkingDirectoryName
@ -448,8 +447,11 @@ end function makeRelativePath
character function getPathSep() character function getPathSep()
implicit none implicit none
character(len=2048) path character(len=2048) :: &
integer(pInt) :: backslash = 0_pInt, slash = 0_pInt path
integer(pInt) :: &
backslash = 0_pInt, &
slash = 0_pInt
integer :: i integer :: i
call get_environment_variable('PATH',path) call get_environment_variable('PATH',path)

9
code/Makefile
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@ -33,8 +33,9 @@ SHELL = /bin/sh
# IMKLROOT = pathinfo:IMKL (will be adjusted by setup_code.py if present in pathinfo) # IMKLROOT = pathinfo:IMKL (will be adjusted by setup_code.py if present in pathinfo)
# ACMLROOT = pathinfo:ACML (will be adjusted by setup_code.py if present in pathinfo) # ACMLROOT = pathinfo:ACML (will be adjusted by setup_code.py if present in pathinfo)
# LAPACKROOT = pathinfo:LAPACK (will be adjusted by setup_code.py if present in pathinfo) # LAPACKROOT = pathinfo:LAPACK (will be adjusted by setup_code.py if present in pathinfo)
# PREFIX = arbitrary prefix # PREFIX = arbitrary prefix (before compilername)
# SUFFIX = arbitrary suffix # OPTION = arbitrary option (just before file to compile)
# SUFFIX = arbitrary suffix (after file to compile)
# STANDARD_CHECK = checking for Fortran 2008, compiler dependend # STANDARD_CHECK = checking for Fortran 2008, compiler dependend
######################################################################################## ########################################################################################
@ -327,9 +328,9 @@ DEBUG_OPTIONS_gfortran :=-g\
# underflow # underflow
ifeq "$(DEBUG)" "ON" ifeq "$(DEBUG)" "ON"
COMPILE_OPTIONS_$(F90) :=$(COMPILE_OPTIONS_$(F90)) $(DEBUG_OPTIONS_$(F90)) COMPILE_OPTIONS_$(F90) +=$(DEBUG_OPTIONS_$(F90))
endif endif
COMPILE_OPTIONS_$(F90) +=$(OPTIONS)
PRECISION_ifort :=-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4 PRECISION_ifort :=-real-size 64 -integer-size 32 -DFLOAT=8 -DINT=4
#-real-size 32: set precision to one of those 32/64/128 (= 4/8/16 bytes) for standard real (=8 for pReal) #-real-size 32: set precision to one of those 32/64/128 (= 4/8/16 bytes) for standard real (=8 for pReal)
#-integer-size 16: set precision to one of those 16/32/64 (= 2/4/8 bytes) for standard integer (=4 for pInt) #-integer-size 16: set precision to one of those 16/32/64 (= 2/4/8 bytes) for standard integer (=4 for pInt)

2
code/constitutive_j2.f90
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@ -302,7 +302,7 @@ subroutine constitutive_j2_init(myFile)
constitutive_j2_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(constitutive_j2_structureName(i),& constitutive_j2_Cslip_66(1:6,1:6,i) = lattice_symmetrizeC66(constitutive_j2_structureName(i),&
constitutive_j2_Cslip_66(1:6,1:6,i)) constitutive_j2_Cslip_66(1:6,1:6,i))
constitutive_j2_Cslip_66(1:6,1:6,i) = & constitutive_j2_Cslip_66(1:6,1:6,i) = &
math_Mandel3333to66(math_Voigt66to3333(constitutive_j2_Cslip_66(1:6,1:6,i))) ! todo what is going on here? math_Mandel3333to66(math_Voigt66to3333(constitutive_j2_Cslip_66(1:6,1:6,i))) ! Literature data is Voigt, DAMASK uses Mandel
enddo instancesLoop enddo instancesLoop

1
code/crystallite.f90
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@ -1374,7 +1374,6 @@ subroutine crystallite_integrateStateRK4()
constitutive_microstructure constitutive_microstructure
implicit none implicit none
real(pReal), dimension(4), parameter :: TIMESTEPFRACTION = [0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration real(pReal), dimension(4), parameter :: TIMESTEPFRACTION = [0.5_pReal, 0.5_pReal, 1.0_pReal, 1.0_pReal] ! factor giving the fraction of the original timestep used for Runge Kutta Integration
real(pReal), dimension(4), parameter :: WEIGHT = [1.0_pReal, 2.0_pReal, 2.0_pReal, 1.0_pReal] ! weight of slope used for Runge Kutta integration real(pReal), dimension(4), parameter :: WEIGHT = [1.0_pReal, 2.0_pReal, 2.0_pReal, 1.0_pReal] ! weight of slope used for Runge Kutta integration

17
code/prec.f90
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@ -19,11 +19,13 @@
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
! $Id$ ! $Id$
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH !> @author Franz Roters, Max-Planck-Institut für Eisenforschung GmbH
!> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH !> @author Philip Eisenlohr, Max-Planck-Institut für Eisenforschung GmbH
!> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH !> @author Christoph Kords, Max-Planck-Institut für Eisenforschung GmbH
!> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH !> @author Martin Diehl, Max-Planck-Institut für Eisenforschung GmbH
!> @brief setting precision for real and int type depending on makros "FLOAT" and "INT" !> @brief setting precision for real and int type depending on makros "FLOAT" and "INT"
!> @details setting precision for real and int type and for DAMASK_NaN. Definition is made
!! depending on makros "FLOAT" and "INT" defined during compilation
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
module prec module prec
@ -62,10 +64,9 @@ module prec
#endif #endif
integer, parameter, public :: pLongInt = 8 !< integer representation 64 bit (was selected_int_kind(12), number with at least up to +- 1e12) integer, parameter, public :: pLongInt = 8 !< integer representation 64 bit (was selected_int_kind(12), number with at least up to +- 1e12)
real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal real(pReal), parameter, public :: tol_math_check = 1.0e-8_pReal !< tolerance for internal math self-checks (rotation)
real(pReal), parameter, public :: tol_gravityNodePos = 1.0e-100_pReal
type, public :: p_vec type, public :: p_vec !< variable length datatype used for storage of state
real(pReal), dimension(:), pointer :: p real(pReal), dimension(:), pointer :: p
end type p_vec end type p_vec