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DAMASK_EICMD
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some minor improvement on precision detection: checking only once (in prec and no longer in math and crystallite), added one more 4/8 switch for LAPACK, as there is no single precision FFTW, stopping compilation for spectral method if FLOAT=4 

new function in IO to print integers without leading zeros, implemented it at some places in the new spectral solver (reporting still needs some serious polishing)
updated preprocessing for documentation to handle precision correctly
This commit is contained in:
Martin Diehl 2012-08-30 20:26:28 +00:00
parent b7dc9f9944
commit 22812c9a91
6 changed files with 331 additions and 315 deletions
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9
code/DAMASK_spectral_Driver.f90
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@ -31,7 +31,8 @@ program DAMASK_spectral_Driver
IO_error, & IO_error, &
IO_lc, & IO_lc, &
IO_read_jobBinaryFile, & IO_read_jobBinaryFile, &
IO_write_jobBinaryFile IO_write_jobBinaryFile, &
IO_intOut
use math use math
@ -390,9 +391,11 @@ program DAMASK_spectral_Driver
write(6,'(a)') '==================================================================' write(6,'(a)') '=================================================================='
if(solres%converged) then if(solres%converged) then
convergedCounter = convergedCounter + 1_pInt convergedCounter = convergedCounter + 1_pInt
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' converged' write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
'increment', totalIncsCounter, 'converged'
else else
write(6,'(A,I5.5,A)') 'increment ', totalIncsCounter, ' NOT converged' write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
'increment', totalIncsCounter, 'NOT converged'
notConvergedCounter = notConvergedCounter + 1_pInt notConvergedCounter = notConvergedCounter + 1_pInt
endif endif

14
code/DAMASK_spectral_SolverBasic.f90
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@ -47,7 +47,8 @@ subroutine basic_init()
use IO, only: & use IO, only: &
IO_read_JobBinaryFile, & IO_read_JobBinaryFile, &
IO_write_JobBinaryFile IO_write_JobBinaryFile, &
IO_intOut
use FEsolving, only: & use FEsolving, only: &
restartInc restartInc
@ -95,8 +96,8 @@ subroutine basic_init()
- geomdim/real(2_pInt*res,pReal) - geomdim/real(2_pInt*res,pReal)
enddo; enddo; enddo enddo; enddo; enddo
elseif (restartInc > 1_pInt) then ! using old values from file elseif (restartInc > 1_pInt) then ! using old values from file
if (debugRestart) write(6,'(a,i6,a)') 'Reading values of increment ',& if (debugRestart) write(6,'(a,'//IO_intOut(restartInc-1_pInt)//',a)') &
restartInc - 1_pInt,' from file' 'Reading values of increment', restartInc - 1_pInt, 'from file'
call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',& call IO_read_jobBinaryFile(777,'convergedSpectralDefgrad',&
trim(getSolverJobName()),size(F)) trim(getSolverJobName()),size(F))
read (777,rec=1) F read (777,rec=1) F
@ -154,7 +155,8 @@ type(solutionState) function basic_solution(guessmode,timeinc,timeinc_old,P_BC,F
geomdim, & geomdim, &
deformed_fft deformed_fft
use IO, only: & use IO, only: &
IO_write_JobBinaryFile IO_write_JobBinaryFile, &
IO_intOut
use DAMASK_spectral_Utilities, only: & use DAMASK_spectral_Utilities, only: &
boundaryCondition, & boundaryCondition, &
@ -240,7 +242,7 @@ type(solutionState) function basic_solution(guessmode,timeinc,timeinc_old,P_BC,F
! report begin of new iteration ! report begin of new iteration
write(6,'(a)') '' write(6,'(a)') ''
write(6,'(a)') '==================================================================' write(6,'(a)') '=================================================================='
write(6,'(3(a,i6.6))') ' Iter. ',itmin,' < ',iter,' < ',itmax + 1_pInt write(6,'(3(a,'//IO_intOut(itmax)//'))') ' Iter.', itmin, '<',iter, '<', itmax + 1_pInt
write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =', & write(6,'(a,/,3(3(f12.7,1x)/))',advance='no') 'deformation gradient aim =', &
math_transpose33(F_aim) math_transpose33(F_aim)
F_aim_lab_lastIter = math_rotate_backward33(F_aim,rotation_BC) F_aim_lab_lastIter = math_rotate_backward33(F_aim,rotation_BC)
@ -279,7 +281,6 @@ end function basic_solution
!> @brief convergence check for basic scheme based on div of P and deviation from stress aim !> @brief convergence check for basic scheme based on div of P and deviation from stress aim
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
logical function basic_Converged(err_div,pAvgDiv,err_stress,pAvgStress) logical function basic_Converged(err_div,pAvgDiv,err_stress,pAvgStress)
use numerics, only: & use numerics, only: &
itmin, & itmin, &
err_div_tol, & err_div_tol, &
@ -292,7 +293,6 @@ logical function basic_Converged(err_div,pAvgDiv,err_stress,pAvgStress)
math_transpose33 math_transpose33
implicit none implicit none
real(pReal), dimension(3,3), intent(in) :: & real(pReal), dimension(3,3), intent(in) :: &
pAvgDiv,& pAvgDiv,&
pAvgStress pAvgStress

16
code/IO.f90
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@ -62,7 +62,8 @@ module IO
IO_countContinuousIntValues, & IO_countContinuousIntValues, &
IO_continuousIntValues, & IO_continuousIntValues, &
IO_error, & IO_error, &
IO_warning IO_warning, &
IO_intOut
#ifndef Spectral #ifndef Spectral
public :: IO_open_inputFile, & public :: IO_open_inputFile, &
IO_open_logFile IO_open_logFile
@ -1267,6 +1268,17 @@ function IO_continuousIntValues(myUnit,maxN,lookupName,lookupMap,lookupMaxN)
100 end function IO_continuousIntValues 100 end function IO_continuousIntValues
pure function IO_intOut(intToPrint)
implicit none
character(len=64) :: N_Digits
character(len=64) :: IO_intOut
integer(pInt), intent(in) :: intToPrint
write(N_Digits, '(I16.16)') 1_pInt + int(log10(real(intToPrint)),pInt)
IO_intOut = '1x,I'//trim(N_Digits)//'.'//trim(N_Digits)//',1x'
end function IO_intOut
!-------------------------------------------------------------------------------------------------- !--------------------------------------------------------------------------------------------------
!> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx !> @brief write error statements to standard out and terminate the Marc/spectral run with exit #9xxx
!> in ABAQUS either time step is reduced or execution terminated !> in ABAQUS either time step is reduced or execution terminated
@ -1384,8 +1396,6 @@ subroutine IO_error(error_ID,e,i,g,ext_msg)
!* errors related to spectral solver !* errors related to spectral solver
case (808_pInt)
msg = 'precision not suitable for FFTW'
case (809_pInt) case (809_pInt)
msg = 'initializing FFTW' msg = 'initializing FFTW'
case (831_pInt) case (831_pInt)

537
code/crystallite.f90
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@ -30,78 +30,77 @@
!* - _postResults * !* - _postResults *
!*************************************** !***************************************
MODULE crystallite module crystallite
use prec, only: pReal, pInt use prec, only: pReal, pInt
implicit none implicit none
private :: crystallite_integrateStateFPI, & private :: crystallite_integrateStateFPI, &
crystallite_integrateStateEuler, & crystallite_integrateStateEuler, &
crystallite_integrateStateAdaptiveEuler, & crystallite_integrateStateAdaptiveEuler, &
crystallite_integrateStateRK4, & crystallite_integrateStateRK4, &
crystallite_integrateStateRKCK45, & crystallite_integrateStateRKCK45, &
crystallite_integrateStress, & crystallite_integrateStress, &
crystallite_stateJump crystallite_stateJump
! **************************************************************** ! ****************************************************************
! *** General variables for the crystallite calculation *** ! *** General variables for the crystallite calculation ***
! **************************************************************** ! ****************************************************************
integer(pInt) crystallite_maxSizePostResults
integer(pInt), dimension(:), allocatable :: crystallite_sizePostResults
integer(pInt), dimension(:,:), allocatable :: crystallite_sizePostResult
character(len=64), dimension(:,:), allocatable :: crystallite_output !< name of each post result output
integer(pInt), dimension (:,:,:), allocatable :: &
crystallite_symmetryID !< crystallographic symmetry 1=cubic 2=hexagonal, needed in all orientation calcs
integer(pInt) crystallite_maxSizePostResults real(pReal), dimension (:,:,:), allocatable :: &
integer(pInt), dimension(:), allocatable :: crystallite_sizePostResults crystallite_dt, & !< requested time increment of each grain
integer(pInt), dimension(:,:), allocatable :: crystallite_sizePostResult crystallite_subdt, & !< substepped time increment of each grain
character(len=64), dimension(:,:), allocatable :: crystallite_output ! name of each post result output crystallite_subFrac, & !< already calculated fraction of increment
integer(pInt), dimension (:,:,:), allocatable :: & crystallite_subStep, & !< size of next integration step
crystallite_symmetryID ! crystallographic symmetry 1=cubic 2=hexagonal, needed in all orientation calcs crystallite_Temperature, & !< Temp of each grain
crystallite_partionedTemperature0, & !< Temp of each grain at start of homog inc
crystallite_subTemperature0, & !< Temp of each grain at start of crystallite inc
crystallite_dotTemperature !< evolution of Temperature of each grain
real(pReal), dimension (:,:,:,:), allocatable :: &
crystallite_Tstar_v, & !< current 2nd Piola-Kirchhoff stress vector (end of converged time step)
crystallite_Tstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of FE inc
crystallite_partionedTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of homog inc
crystallite_subTstar0_v, & !< 2nd Piola-Kirchhoff stress vector at start of crystallite inc
crystallite_orientation, & !< orientation as quaternion
crystallite_orientation0, & !< initial orientation as quaternion
crystallite_rotation !< grain rotation away from initial orientation as axis-angle (in degrees)
real(pReal), dimension (:,:,:,:,:), allocatable :: &
crystallite_Fe, & !< current "elastic" def grad (end of converged time step)
crystallite_subFe0,& !< "elastic" def grad at start of crystallite inc
crystallite_Fp, & !< current plastic def grad (end of converged time step)
crystallite_invFp, & !< inverse of current plastic def grad (end of converged time step)
crystallite_Fp0, & !< plastic def grad at start of FE inc
crystallite_partionedFp0,& !< plastic def grad at start of homog inc
crystallite_subFp0,& !< plastic def grad at start of crystallite inc
crystallite_F0, & !< def grad at start of FE inc
crystallite_partionedF, & !< def grad to be reached at end of homog inc
crystallite_partionedF0, & !< def grad at start of homog inc
crystallite_subF, & !< def grad to be reached at end of crystallite inc
crystallite_subF0, & !< def grad at start of crystallite inc
crystallite_Lp, & !< current plastic velocitiy grad (end of converged time step)
crystallite_Lp0, & !< plastic velocitiy grad at start of FE inc
crystallite_partionedLp0,& !< plastic velocity grad at start of homog inc
crystallite_subLp0,& !< plastic velocity grad at start of crystallite inc
crystallite_P, & !< 1st Piola-Kirchhoff stress per grain
crystallite_disorientation !< disorientation between two neighboring ips (only calculated for single grain IPs)
real(pReal), dimension (:,:,:,:,:,:,:), allocatable :: &
crystallite_dPdF, & !< current individual dPdF per grain (end of converged time step)
crystallite_dPdF0, & !< individual dPdF per grain at start of FE inc
crystallite_partioneddPdF0, & !< individual dPdF per grain at start of homog inc
crystallite_fallbackdPdF !< dPdF fallback for non-converged grains (elastic prediction)
logical, dimension (:,:,:), allocatable :: &
crystallite_localPlasticity, & !< indicates this grain to have purely local constitutive law
crystallite_requested, & !< flag to request crystallite calculation
crystallite_todo, & !< flag to indicate need for further computation
crystallite_converged !< convergence flag
real(pReal), dimension (:,:,:), allocatable :: & contains
crystallite_dt, & ! requested time increment of each grain
crystallite_subdt, & ! substepped time increment of each grain
crystallite_subFrac, & ! already calculated fraction of increment
crystallite_subStep, & ! size of next integration step
crystallite_Temperature, & ! Temp of each grain
crystallite_partionedTemperature0, & ! Temp of each grain at start of homog inc
crystallite_subTemperature0, & ! Temp of each grain at start of crystallite inc
crystallite_dotTemperature ! evolution of Temperature of each grain
real(pReal), dimension (:,:,:,:), allocatable :: &
crystallite_Tstar_v, & ! current 2nd Piola-Kirchhoff stress vector (end of converged time step)
crystallite_Tstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of FE inc
crystallite_partionedTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of homog inc
crystallite_subTstar0_v, & ! 2nd Piola-Kirchhoff stress vector at start of crystallite inc
crystallite_orientation, & ! orientation as quaternion
crystallite_orientation0, & ! initial orientation as quaternion
crystallite_rotation ! grain rotation away from initial orientation as axis-angle (in degrees)
real(pReal), dimension (:,:,:,:,:), allocatable :: &
crystallite_Fe, & ! current "elastic" def grad (end of converged time step)
crystallite_subFe0,& ! "elastic" def grad at start of crystallite inc
crystallite_Fp, & ! current plastic def grad (end of converged time step)
crystallite_invFp, & ! inverse of current plastic def grad (end of converged time step)
crystallite_Fp0, & ! plastic def grad at start of FE inc
crystallite_partionedFp0,& ! plastic def grad at start of homog inc
crystallite_subFp0,& ! plastic def grad at start of crystallite inc
crystallite_F0, & ! def grad at start of FE inc
crystallite_partionedF, & ! def grad to be reached at end of homog inc
crystallite_partionedF0, & ! def grad at start of homog inc
crystallite_subF, & ! def grad to be reached at end of crystallite inc
crystallite_subF0, & ! def grad at start of crystallite inc
crystallite_Lp, & ! current plastic velocitiy grad (end of converged time step)
crystallite_Lp0, & ! plastic velocitiy grad at start of FE inc
crystallite_partionedLp0,& ! plastic velocity grad at start of homog inc
crystallite_subLp0,& ! plastic velocity grad at start of crystallite inc
crystallite_P, & ! 1st Piola-Kirchhoff stress per grain
crystallite_disorientation ! disorientation between two neighboring ips (only calculated for single grain IPs)
real(pReal), dimension (:,:,:,:,:,:,:), allocatable :: &
crystallite_dPdF, & ! current individual dPdF per grain (end of converged time step)
crystallite_dPdF0, & ! individual dPdF per grain at start of FE inc
crystallite_partioneddPdF0, & ! individual dPdF per grain at start of homog inc
crystallite_fallbackdPdF ! dPdF fallback for non-converged grains (elastic prediction)
logical, dimension (:,:,:), allocatable :: &
crystallite_localPlasticity, & ! indicates this grain to have purely local constitutive law
crystallite_requested, & ! flag to request crystallite calculation
crystallite_todo, & ! flag to indicate need for further computation
crystallite_converged ! convergence flag
CONTAINS
!******************************************************************** !********************************************************************
@ -109,211 +108,209 @@ CONTAINS
!******************************************************************** !********************************************************************
subroutine crystallite_init(Temperature) subroutine crystallite_init(Temperature)
!*** variables and functions from other modules ***! !*** variables and functions from other modules ***!
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)
use debug, only: debug_info, & use debug, only: debug_info, &
debug_reset, & debug_reset, &
debug_level, & debug_level, &
debug_crystallite, & debug_crystallite, &
debug_levelBasic debug_levelBasic
use math, only: math_I3, & use math, only: math_I3, &
math_EulerToR, & math_EulerToR, &
math_inv33, & math_inv33, &
math_transpose33, & math_transpose33, &
math_mul33xx33, & math_mul33xx33, &
math_mul33x33 math_mul33x33
use FEsolving, only: FEsolving_execElem, & use FEsolving, only: FEsolving_execElem, &
FEsolving_execIP FEsolving_execIP
use mesh, only: mesh_element, & use mesh, only: mesh_element, &
mesh_NcpElems, & mesh_NcpElems, &
mesh_maxNips, & mesh_maxNips, &
mesh_maxNipNeighbors mesh_maxNipNeighbors
use IO use IO
use material use material
use lattice, only: lattice_symmetryType use lattice, only: lattice_symmetryType
use constitutive, only: constitutive_microstructure use constitutive, only: constitutive_microstructure
use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, & use constitutive_phenopowerlaw, only: constitutive_phenopowerlaw_label, &
constitutive_phenopowerlaw_structure constitutive_phenopowerlaw_structure
use constitutive_titanmod, only: constitutive_titanmod_label, & use constitutive_titanmod, only: constitutive_titanmod_label, &
constitutive_titanmod_structure constitutive_titanmod_structure
use constitutive_dislotwin, only: constitutive_dislotwin_label, & use constitutive_dislotwin, only: constitutive_dislotwin_label, &
constitutive_dislotwin_structure constitutive_dislotwin_structure
use constitutive_nonlocal, only: constitutive_nonlocal_label, & use constitutive_nonlocal, only: constitutive_nonlocal_label, &
constitutive_nonlocal_structure constitutive_nonlocal_structure
implicit none implicit none
integer(pInt), parameter :: myFile = 200_pInt, & integer(pInt), parameter :: myFile = 200_pInt, &
maxNchunks = 2_pInt maxNchunks = 2_pInt
!*** input variables ***! !*** input variables ***!
real(pReal) Temperature real(pReal) Temperature
!*** output variables ***! !*** local variables ***!
integer(pInt), dimension(1+2*maxNchunks) :: positions
!*** local variables ***! integer(pInt) g, & ! grain number
integer(pInt), dimension(1+2*maxNchunks) :: positions i, & ! integration point number
integer(pInt) g, & ! grain number e, & ! element number
i, & ! integration point number gMax, & ! maximum number of grains
e, & ! element number iMax, & ! maximum number of integration points
gMax, & ! maximum number of grains eMax, & ! maximum number of elements
iMax, & ! maximum number of integration points nMax, & ! maximum number of ip neighbors
eMax, & ! maximum number of elements myNgrains, & ! number of grains in current IP
nMax, & ! maximum number of ip neighbors section, &
myNgrains, & ! number of grains in current IP j, &
section, & p, &
j, & output, &
p, & mySize, &
output, & myStructure, & ! lattice structure
mySize, & myPhase, &
myStructure, & ! lattice structure myMat
myPhase, & character(len=64) tag
myMat character(len=1024) line
character(len=64) tag
character(len=1024) line
!$OMP CRITICAL (write2out) !$OMP CRITICAL (write2out)
write(6,*) write(6,*)
write(6,*) '<<<+- crystallite init -+>>>' write(6,*) '<<<+- crystallite init -+>>>'
write(6,*) '$Id$' write(6,*) '$Id$'
#include "compilation_info.f90" #include "compilation_info.f90"
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
gMax = homogenization_maxNgrains gMax = homogenization_maxNgrains
iMax = mesh_maxNips iMax = mesh_maxNips
eMax = mesh_NcpElems eMax = mesh_NcpElems
nMax = mesh_maxNipNeighbors nMax = mesh_maxNipNeighbors
allocate(crystallite_Temperature(gMax,iMax,eMax)); crystallite_Temperature = Temperature allocate(crystallite_Temperature(gMax,iMax,eMax)); crystallite_Temperature = Temperature
allocate(crystallite_partionedTemperature0(gMax,iMax,eMax)); crystallite_partionedTemperature0 = 0.0_pReal allocate(crystallite_partionedTemperature0(gMax,iMax,eMax)); crystallite_partionedTemperature0 = 0.0_pReal
allocate(crystallite_subTemperature0(gMax,iMax,eMax)); crystallite_subTemperature0 = 0.0_pReal allocate(crystallite_subTemperature0(gMax,iMax,eMax)); crystallite_subTemperature0 = 0.0_pReal
allocate(crystallite_dotTemperature(gMax,iMax,eMax)); crystallite_dotTemperature = 0.0_pReal allocate(crystallite_dotTemperature(gMax,iMax,eMax)); crystallite_dotTemperature = 0.0_pReal
allocate(crystallite_Tstar0_v(6,gMax,iMax,eMax)); crystallite_Tstar0_v = 0.0_pReal allocate(crystallite_Tstar0_v(6,gMax,iMax,eMax)); crystallite_Tstar0_v = 0.0_pReal
allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax)); crystallite_partionedTstar0_v = 0.0_pReal allocate(crystallite_partionedTstar0_v(6,gMax,iMax,eMax)); crystallite_partionedTstar0_v = 0.0_pReal
allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal allocate(crystallite_subTstar0_v(6,gMax,iMax,eMax)); crystallite_subTstar0_v = 0.0_pReal
allocate(crystallite_Tstar_v(6,gMax,iMax,eMax)); crystallite_Tstar_v = 0.0_pReal allocate(crystallite_Tstar_v(6,gMax,iMax,eMax)); crystallite_Tstar_v = 0.0_pReal
allocate(crystallite_P(3,3,gMax,iMax,eMax)); crystallite_P = 0.0_pReal allocate(crystallite_P(3,3,gMax,iMax,eMax)); crystallite_P = 0.0_pReal
allocate(crystallite_F0(3,3,gMax,iMax,eMax)); crystallite_F0 = 0.0_pReal allocate(crystallite_F0(3,3,gMax,iMax,eMax)); crystallite_F0 = 0.0_pReal
allocate(crystallite_partionedF0(3,3,gMax,iMax,eMax)); crystallite_partionedF0 = 0.0_pReal allocate(crystallite_partionedF0(3,3,gMax,iMax,eMax)); crystallite_partionedF0 = 0.0_pReal
allocate(crystallite_partionedF(3,3,gMax,iMax,eMax)); crystallite_partionedF = 0.0_pReal allocate(crystallite_partionedF(3,3,gMax,iMax,eMax)); crystallite_partionedF = 0.0_pReal
allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal allocate(crystallite_subF0(3,3,gMax,iMax,eMax)); crystallite_subF0 = 0.0_pReal
allocate(crystallite_subF(3,3,gMax,iMax,eMax)); crystallite_subF = 0.0_pReal allocate(crystallite_subF(3,3,gMax,iMax,eMax)); crystallite_subF = 0.0_pReal
allocate(crystallite_Fp0(3,3,gMax,iMax,eMax)); crystallite_Fp0 = 0.0_pReal allocate(crystallite_Fp0(3,3,gMax,iMax,eMax)); crystallite_Fp0 = 0.0_pReal
allocate(crystallite_partionedFp0(3,3,gMax,iMax,eMax)); crystallite_partionedFp0 = 0.0_pReal allocate(crystallite_partionedFp0(3,3,gMax,iMax,eMax)); crystallite_partionedFp0 = 0.0_pReal
allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal allocate(crystallite_subFp0(3,3,gMax,iMax,eMax)); crystallite_subFp0 = 0.0_pReal
allocate(crystallite_Fp(3,3,gMax,iMax,eMax)); crystallite_Fp = 0.0_pReal allocate(crystallite_Fp(3,3,gMax,iMax,eMax)); crystallite_Fp = 0.0_pReal
allocate(crystallite_invFp(3,3,gMax,iMax,eMax)); crystallite_invFp = 0.0_pReal allocate(crystallite_invFp(3,3,gMax,iMax,eMax)); crystallite_invFp = 0.0_pReal
allocate(crystallite_Fe(3,3,gMax,iMax,eMax)); crystallite_Fe = 0.0_pReal allocate(crystallite_Fe(3,3,gMax,iMax,eMax)); crystallite_Fe = 0.0_pReal
allocate(crystallite_subFe0(3,3,gMax,iMax,eMax)); crystallite_subFe0 = 0.0_pReal allocate(crystallite_subFe0(3,3,gMax,iMax,eMax)); crystallite_subFe0 = 0.0_pReal
allocate(crystallite_Lp0(3,3,gMax,iMax,eMax)); crystallite_Lp0 = 0.0_pReal allocate(crystallite_Lp0(3,3,gMax,iMax,eMax)); crystallite_Lp0 = 0.0_pReal
allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax)); crystallite_partionedLp0 = 0.0_pReal allocate(crystallite_partionedLp0(3,3,gMax,iMax,eMax)); crystallite_partionedLp0 = 0.0_pReal
allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal allocate(crystallite_subLp0(3,3,gMax,iMax,eMax)); crystallite_subLp0 = 0.0_pReal
allocate(crystallite_Lp(3,3,gMax,iMax,eMax)); crystallite_Lp = 0.0_pReal allocate(crystallite_Lp(3,3,gMax,iMax,eMax)); crystallite_Lp = 0.0_pReal
allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal allocate(crystallite_dPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF = 0.0_pReal
allocate(crystallite_dPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF0 = 0.0_pReal allocate(crystallite_dPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_dPdF0 = 0.0_pReal
allocate(crystallite_partioneddPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_partioneddPdF0 = 0.0_pReal allocate(crystallite_partioneddPdF0(3,3,3,3,gMax,iMax,eMax)); crystallite_partioneddPdF0 = 0.0_pReal
allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_fallbackdPdF = 0.0_pReal allocate(crystallite_fallbackdPdF(3,3,3,3,gMax,iMax,eMax)); crystallite_fallbackdPdF = 0.0_pReal
allocate(crystallite_dt(gMax,iMax,eMax)); crystallite_dt = 0.0_pReal allocate(crystallite_dt(gMax,iMax,eMax)); crystallite_dt = 0.0_pReal
allocate(crystallite_subdt(gMax,iMax,eMax)); crystallite_subdt = 0.0_pReal allocate(crystallite_subdt(gMax,iMax,eMax)); crystallite_subdt = 0.0_pReal
allocate(crystallite_subFrac(gMax,iMax,eMax)); crystallite_subFrac = 0.0_pReal allocate(crystallite_subFrac(gMax,iMax,eMax)); crystallite_subFrac = 0.0_pReal
allocate(crystallite_subStep(gMax,iMax,eMax)); crystallite_subStep = 0.0_pReal allocate(crystallite_subStep(gMax,iMax,eMax)); crystallite_subStep = 0.0_pReal
allocate(crystallite_orientation(4,gMax,iMax,eMax)); crystallite_orientation = 0.0_pReal allocate(crystallite_orientation(4,gMax,iMax,eMax)); crystallite_orientation = 0.0_pReal
allocate(crystallite_orientation0(4,gMax,iMax,eMax)); crystallite_orientation0 = 0.0_pReal allocate(crystallite_orientation0(4,gMax,iMax,eMax)); crystallite_orientation0 = 0.0_pReal
allocate(crystallite_rotation(4,gMax,iMax,eMax)); crystallite_rotation = 0.0_pReal allocate(crystallite_rotation(4,gMax,iMax,eMax)); crystallite_rotation = 0.0_pReal
allocate(crystallite_disorientation(4,nMax,gMax,iMax,eMax)); crystallite_disorientation = 0.0_pReal allocate(crystallite_disorientation(4,nMax,gMax,iMax,eMax)); crystallite_disorientation = 0.0_pReal
allocate(crystallite_symmetryID(gMax,iMax,eMax)); crystallite_symmetryID = 0_pInt allocate(crystallite_symmetryID(gMax,iMax,eMax)); crystallite_symmetryID = 0_pInt
allocate(crystallite_localPlasticity(gMax,iMax,eMax)); crystallite_localPlasticity = .true. allocate(crystallite_localPlasticity(gMax,iMax,eMax)); crystallite_localPlasticity = .true.
allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false. allocate(crystallite_requested(gMax,iMax,eMax)); crystallite_requested = .false.
allocate(crystallite_todo(gMax,iMax,eMax)); crystallite_todo = .false. allocate(crystallite_todo(gMax,iMax,eMax)); crystallite_todo = .false.
allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true. allocate(crystallite_converged(gMax,iMax,eMax)); crystallite_converged = .true.
allocate(crystallite_output(maxval(crystallite_Noutput), & allocate(crystallite_output(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_output = '' material_Ncrystallite)) ; crystallite_output = ''
allocate(crystallite_sizePostResults(material_Ncrystallite)) ; crystallite_sizePostResults = 0_pInt allocate(crystallite_sizePostResults(material_Ncrystallite)) ; crystallite_sizePostResults = 0_pInt
allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), & allocate(crystallite_sizePostResult(maxval(crystallite_Noutput), &
material_Ncrystallite)) ; crystallite_sizePostResult = 0_pInt material_Ncrystallite)) ; crystallite_sizePostResult = 0_pInt
if (.not. IO_open_jobFile_stat(myFile,material_localFileExt)) then ! no local material configuration present... if (.not. IO_open_jobFile_stat(myFile,material_localFileExt)) then ! no local material configuration present...
call IO_open_file(myFile,material_configFile) ! ...open material.config file call IO_open_file(myFile,material_configFile) ! ...open material.config file
endif endif
line = '' line = ''
section = 0_pInt section = 0_pInt
do while (IO_lc(IO_getTag(line,'<','>')) /= material_partCrystallite) ! wind forward to <crystallite> do while (IO_lc(IO_getTag(line,'<','>')) /= material_partCrystallite) ! wind forward to <crystallite>
read(myFile,'(a1024)',END=100) line read(myFile,'(a1024)',END=100) line
enddo enddo
do ! read thru sections of phase part do ! read thru sections of phase part
read(myFile,'(a1024)',END=100) line read(myFile,'(a1024)',END=100) line
if (IO_isBlank(line)) cycle ! skip empty lines if (IO_isBlank(line)) cycle ! skip empty lines
if (IO_getTag(line,'<','>') /= '') exit ! stop at next part if (IO_getTag(line,'<','>') /= '') exit ! stop at next part
if (IO_getTag(line,'[',']') /= '') then ! next section if (IO_getTag(line,'[',']') /= '') then ! next section
section = section + 1_pInt section = section + 1_pInt
output = 0_pInt ! reset output counter output = 0_pInt ! reset output counter
endif endif
if (section > 0_pInt) then if (section > 0_pInt) then
positions = IO_stringPos(line,maxNchunks) positions = IO_stringPos(line,maxNchunks)
tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key tag = IO_lc(IO_stringValue(line,positions,1_pInt)) ! extract key
select case(tag) select case(tag)
case ('(output)') case ('(output)')
output = output + 1_pInt output = output + 1_pInt
crystallite_output(output,section) = IO_lc(IO_stringValue(line,positions,2_pInt)) crystallite_output(output,section) = IO_lc(IO_stringValue(line,positions,2_pInt))
end select end select
endif endif
enddo enddo
100 close(myFile) 100 close(myFile)
do i = 1_pInt,material_Ncrystallite ! sanity checks do i = 1_pInt,material_Ncrystallite ! sanity checks
enddo enddo
do i = 1_pInt,material_Ncrystallite do i = 1_pInt,material_Ncrystallite
do j = 1_pInt,crystallite_Noutput(i) do j = 1_pInt,crystallite_Noutput(i)
select case(crystallite_output(j,i)) select case(crystallite_output(j,i))
case('phase','texture','volume') case('phase','texture','volume')
mySize = 1_pInt mySize = 1_pInt
case('orientation','grainrotation') ! orientation as quaternion, or deviation from initial grain orientation in axis-angle form (angle in degrees) case('orientation','grainrotation') ! orientation as quaternion, or deviation from initial grain orientation in axis-angle form (angle in degrees)
mySize = 4_pInt mySize = 4_pInt
case('eulerangles') ! Bunge (3-1-3) Euler angles case('eulerangles') ! Bunge (3-1-3) Euler angles
mySize = 3_pInt mySize = 3_pInt
case('defgrad','f','fe','fp','lp','e','ee','p','firstpiola','1stpiola','s','tstar','secondpiola','2ndpiola') case('defgrad','f','fe','fp','lp','e','ee','p','firstpiola','1stpiola','s','tstar','secondpiola','2ndpiola')
mySize = 9_pInt mySize = 9_pInt
case('elasmatrix') case('elasmatrix')
mySize = 36_pInt mySize = 36_pInt
case default case default
mySize = 0_pInt mySize = 0_pInt
end select end select
if (mySize > 0_pInt) then ! any meaningful output found if (mySize > 0_pInt) then ! any meaningful output found
crystallite_sizePostResult(j,i) = mySize crystallite_sizePostResult(j,i) = mySize
crystallite_sizePostResults(i) = crystallite_sizePostResults(i) + mySize crystallite_sizePostResults(i) = crystallite_sizePostResults(i) + mySize
endif endif
enddo enddo
enddo enddo
crystallite_maxSizePostResults = 0_pInt crystallite_maxSizePostResults = 0_pInt
do j = 1_pInt,material_Nmicrostructure do j = 1_pInt,material_Nmicrostructure
if (microstructure_active(j)) & if (microstructure_active(j)) &
crystallite_maxSizePostResults = max(crystallite_maxSizePostResults,& crystallite_maxSizePostResults = max(crystallite_maxSizePostResults,&
crystallite_sizePostResults(microstructure_crystallite(j))) crystallite_sizePostResults(microstructure_crystallite(j)))
enddo enddo
! write description file for crystallite output ! write description file for crystallite output
call IO_write_jobFile(myFile,'outputCrystallite') call IO_write_jobFile(myFile,'outputCrystallite')
do p = 1_pInt,material_Ncrystallite do p = 1_pInt,material_Ncrystallite
write(myFile,*) write(myFile,*)
write(myFile,'(a)') '['//trim(crystallite_name(p))//']' write(myFile,'(a)') '['//trim(crystallite_name(p))//']'
write(myFile,*) write(myFile,*)
do e = 1_pInt,crystallite_Noutput(p) do e = 1_pInt,crystallite_Noutput(p)
write(myFile,'(a,i4)') trim(crystallite_output(e,p))//char(9),crystallite_sizePostResult(e,p) write(myFile,'(a,i4)') trim(crystallite_output(e,p))//char(9),crystallite_sizePostResult(e,p)
enddo enddo
enddo enddo
close(myFile) close(myFile)
!$OMP PARALLEL PRIVATE(myNgrains,myPhase,myMat,myStructure) !$OMP PARALLEL PRIVATE(myNgrains,myPhase,myMat,myStructure)
@ -440,8 +437,8 @@ if (iand(debug_level(debug_crystallite), debug_levelBasic) /= 0_pInt) then
!$OMP END CRITICAL (write2out) !$OMP END CRITICAL (write2out)
endif endif
call debug_info call debug_info
call debug_reset call debug_reset
end subroutine crystallite_init end subroutine crystallite_init
@ -502,13 +499,13 @@ use constitutive, only: constitutive_sizeState, &
implicit none implicit none
!*** input variables ***! !*** input variables ***!
logical, intent(in) :: updateJaco, rate_sensitivity ! flag indicating wehther we want to update the Jacobian (stiffness) or not logical, intent(in) :: updateJaco, rate_sensitivity ! flag indicating wehther we want to update the Jacobian (stiffness) or not
!*** local variables ***! !*** local variables ***!
real(pReal) myPert, & ! perturbation with correct sign real(pReal) myPert, & ! perturbation with correct sign
formerSubStep formerSubStep
real(pReal), dimension(3,3) :: invFp, & ! inverse of the plastic deformation gradient real(pReal), dimension(3,3) :: invFp, & ! inverse of the plastic deformation gradient
Fe_guess, & ! guess for elastic deformation gradient Fe_guess, & ! guess for elastic deformation gradient
Tstar ! 2nd Piola-Kirchhoff stress tensor Tstar ! 2nd Piola-Kirchhoff stress tensor
real(pReal), dimension(3,3,3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & real(pReal), dimension(3,3,3,3,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
dPdF_perturbation1, & dPdF_perturbation1, &
dPdF_perturbation2 dPdF_perturbation2
@ -523,15 +520,15 @@ real(pReal), dimension(6,homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :
Tstar_v_backup Tstar_v_backup
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
Temperature_backup Temperature_backup
integer(pInt) NiterationCrystallite, & ! number of iterations in crystallite loop integer(pInt) NiterationCrystallite, & ! number of iterations in crystallite loop
e, & ! element index e, & ! element index
i, & ! integration point index i, & ! integration point index
g, & ! grain index g, & ! grain index
k, & k, &
l, & l, &
o, & o, &
p, & p, &
perturbation , & ! loop counter for forward,backward perturbation mode perturbation , & ! loop counter for forward,backward perturbation mode
myNgrains, & myNgrains, &
mySizeState, & mySizeState, &
mySizeDotState mySizeDotState
@ -825,8 +822,8 @@ if(updateJaco) then
crystallite_Fe = Fe_backup crystallite_Fe = Fe_backup
crystallite_Lp = Lp_backup crystallite_Lp = Lp_backup
crystallite_Tstar_v = Tstar_v_backup crystallite_Tstar_v = Tstar_v_backup
case(2_pInt,3_pInt) ! explicit Euler methods: nothing to restore (except for F), since we are only doing a stress integration step case(2_pInt,3_pInt) ! explicit Euler methods: nothing to restore (except for F), since we are only doing a stress integration step
case(4_pInt,5_pInt) ! explicit Runge-Kutta methods: restore to start of subinc, since we are doing a full integration of state and stress case(4_pInt,5_pInt) ! explicit Runge-Kutta methods: restore to start of subinc, since we are doing a full integration of state and stress
!$OMP PARALLEL DO PRIVATE(myNgrains,mySizeState,mySizeDotState) !$OMP PARALLEL DO PRIVATE(myNgrains,mySizeState,mySizeDotState)
do e = FEsolving_execElem(1),FEsolving_execElem(2) do e = FEsolving_execElem(1),FEsolving_execElem(2)
myNgrains = homogenization_Ngrains(mesh_element(3,e)) myNgrains = homogenization_Ngrains(mesh_element(3,e))
@ -1048,28 +1045,28 @@ use constitutive, only: constitutive_sizeDotState, &
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
!*** input variables ***! !*** input variables ***!
integer(pInt), optional, intent(in):: ee, & ! element index integer(pInt), optional, intent(in):: ee, & ! element index
ii, & ! integration point index ii, & ! integration point index
gg ! grain index gg ! grain index
!*** output variables ***! !*** output variables ***!
!*** local variables ***! !*** local variables ***!
integer(pInt) e, & ! element index in element loop integer(pInt) e, & ! element index in element loop
i, & ! integration point index in ip loop i, & ! integration point index in ip loop
g, & ! grain index in grain loop g, & ! grain index in grain loop
n, & n, &
mySizeDotState mySizeDotState
integer(pInt), dimension(2) :: eIter ! bounds for element iteration integer(pInt), dimension(2) :: eIter ! bounds for element iteration
integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration integer(pInt), dimension(2,mesh_NcpElems) :: iIter, & ! bounds for ip iteration
gIter ! bounds for grain iteration gIter ! bounds for grain iteration
real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: & real(pReal), dimension(homogenization_maxNgrains,mesh_maxNips,mesh_NcpElems) :: &
RK4dotTemperature ! evolution of Temperature of each grain for Runge Kutta integration RK4dotTemperature ! evolution of Temperature of each grain for Runge Kutta integration
logical singleRun ! flag indicating computation for single (g,i,e) triple logical singleRun ! flag indicating computation for single (g,i,e) triple
if (present(ee) .and. present(ii) .and. present(gg)) then if (present(ee) .and. present(ii) .and. present(gg)) then
@ -3040,8 +3037,6 @@ LpLoop: do
#elif(FLOAT==4) #elif(FLOAT==4)
call sgetrf(9,9,inv_dR_dLp,9,ipiv,error) ! invert dR/dLp --> dLp/dR call sgetrf(9,9,inv_dR_dLp,9,ipiv,error) ! invert dR/dLp --> dLp/dR
call sgetri(9,inv_dR_dLp,9,ipiv,work,9,error) call sgetri(9,inv_dR_dLp,9,ipiv,work,9,error)
#else
NO SUITABLE PRECISION SELECTED, COMPILATION ABORTED
#endif #endif
if (error) then if (error) then
#ifndef _OPENMP #ifndef _OPENMP

17
code/math.f90
View File

@ -903,15 +903,20 @@ function math_invSym3333(A)
real(pReal),dimension(3,3,3,3),intent(in) :: A real(pReal),dimension(3,3,3,3),intent(in) :: A
integer(pInt) :: ierr1, ierr2 integer(pInt) :: ierr
integer(pInt), dimension(6) :: ipiv6 integer(pInt), dimension(6) :: ipiv6
real(pReal), dimension(6,6) :: temp66_Real real(pReal), dimension(6,6) :: temp66_Real
real(pReal), dimension(6) :: work6 real(pReal), dimension(6) :: work6
temp66_real = math_Mandel3333to66(A) temp66_real = math_Mandel3333to66(A)
call dgetrf(6,6,temp66_real,6,ipiv6,ierr1) #if(FLOAT==8)
call dgetri(6,temp66_real,6,ipiv6,work6,6,ierr2) call dgetrf(6,6,temp66_real,6,ipiv6,ierr)
if (ierr1*ierr2 == 0_pInt) then call dgetri(6,temp66_real,6,ipiv6,work6,6,ierr)
#elif(FLOAT==4)
call sgetrf(6,6,temp66_real,6,ipiv6,ierr)
call sgetri(6,temp66_real,6,ipiv6,work6,6,ierr)
#endif
if (ierr == 0_pInt) then
math_invSym3333 = math_Mandel66to3333(temp66_real) math_invSym3333 = math_Mandel66to3333(temp66_real)
else else
call IO_error(400_pInt, ext_msg = 'math_invSym3333') call IO_error(400_pInt, ext_msg = 'math_invSym3333')
@ -945,8 +950,6 @@ subroutine math_invert(myDim,A, InvA, error)
#elif(FLOAT==4) #elif(FLOAT==4)
call sgetrf(myDim,myDim,invA,myDim,ipiv,ierr) call sgetrf(myDim,myDim,invA,myDim,ipiv,ierr)
call sgetri(myDim,InvA,myDim,ipiv,work,myDim,ierr) call sgetri(myDim,InvA,myDim,ipiv,work,myDim,ierr)
#else
NO SUITABLE PRECISION SELECTED, COMPILATION ABORTED
#endif #endif
if (ierr == 0_pInt) then if (ierr == 0_pInt) then
error = .false. error = .false.
@ -2770,7 +2773,6 @@ function math_curlFFT(geomdim,field)
wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal) wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal)
res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c) res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=808_pInt)
call fftw_set_timelimit(fftw_timelimit) call fftw_set_timelimit(fftw_timelimit)
field_fftw = fftw_alloc_complex(int(res1_red *res(2)*res(3)*vec_tens*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8) field_fftw = fftw_alloc_complex(int(res1_red *res(2)*res(3)*vec_tens*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
call c_f_pointer(field_fftw, field_real, [res(1)+2_pInt,res(2),res(3),vec_tens,3_pInt]) call c_f_pointer(field_fftw, field_real, [res(1)+2_pInt,res(2),res(3),vec_tens,3_pInt])
@ -2890,7 +2892,6 @@ function math_divergenceFFT(geomdim,field)
res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c) res1_red = res(1)/2_pInt + 1_pInt ! size of complex array in first dimension (c2r, r2c)
wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal) wgt = 1.0_pReal/real(res(1)*res(2)*res(3),pReal)
if (pReal /= C_DOUBLE .or. pInt /= C_INT) call IO_error(error_ID=808_pInt)
call fftw_set_timelimit(fftw_timelimit) call fftw_set_timelimit(fftw_timelimit)
field_fftw = fftw_alloc_complex(int(res1_red*res(2)*res(3)*vec_tens*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8) field_fftw = fftw_alloc_complex(int(res1_red*res(2)*res(3)*vec_tens*3_pInt,C_SIZE_T)) !C_SIZE_T is of type integer(8)
call c_f_pointer(field_fftw, field_real, [res(1)+2_pInt,res(2),res(3),vec_tens,3_pInt]) call c_f_pointer(field_fftw, field_real, [res(1)+2_pInt,res(2),res(3),vec_tens,3_pInt])

7
code/prec.f90
View File

@ -38,6 +38,9 @@ module prec
private private
#if (FLOAT==4) #if (FLOAT==4)
#ifdef Spectral
SPECTRAL SOLVER DOES NOT SUPPORT SINGLE PRECISION, STOPING COMPILATION
#endif
integer, parameter, public :: pReal = 4 !< floating point single precition (was selected_real_kind(6,37), number with 6 significant digits, up to 1e+-37) integer, parameter, public :: pReal = 4 !< floating point single precition (was selected_real_kind(6,37), number with 6 significant digits, up to 1e+-37)
#ifdef LEGACY_COMPILER #ifdef LEGACY_COMPILER
real(pReal), parameter, public :: DAMASK_NaN = Z'7F800001' !< quiet NaN for single precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran) real(pReal), parameter, public :: DAMASK_NaN = Z'7F800001' !< quiet NaN for single precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran)
@ -51,12 +54,16 @@ module prec
#else #else
real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF8000000000000', pReal) !< quiet NaN for double precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran) real(pReal), parameter, public :: DAMASK_NaN = real(Z'7FF8000000000000', pReal) !< quiet NaN for double precision (from http://www.hpc.unimelb.edu.au/doc/f90lrm/dfum_035.html, copy can be found in documentation/Code/Fortran)
#endif #endif
#else
NO SUITABLE PRECISION SELECTED, STOPING COMPILATION
#endif #endif
#if (INT==4) #if (INT==4)
integer, parameter, public :: pInt = 4 !< integer representation 32 bit (was selected_int_kind(9), number with at least up to +- 1e9) integer, parameter, public :: pInt = 4 !< integer representation 32 bit (was selected_int_kind(9), number with at least up to +- 1e9)
#elif (INT==8) #elif (INT==8)
integer, parameter, public :: pInt = 8 !< integer representation 64 bit (was selected_int_kind(12), number with at least up to +- 1e12) integer, parameter, public :: pInt = 8 !< integer representation 64 bit (was selected_int_kind(12), number with at least up to +- 1e12)
#else
NO SUITABLE PRECISION SELECTED, STOPING COMPILATION
#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)