made new spectral solver the default (no need for SOLVER=NEW anymore) and added additional warnings switche to be used with gfortran >= 4.6
added comments
This commit is contained in:
Martin Diehl
parent
ec9e7908a6
commit
566b680319
|
|
@ -7,7 +7,8 @@
|
|||
!> @brief Driver controlling inner and outer load case looping of the various spectral solvers
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
program DAMASK_spectral_Driver
|
||||
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 DAMASK_interface, only: &
|
||||
DAMASK_interface_init, &
|
||||
loadCaseFile, &
|
||||
|
|
@ -17,8 +18,7 @@ program DAMASK_spectral_Driver
|
|||
appendToOutFile
|
||||
use prec, only: &
|
||||
pInt, &
|
||||
pReal, &
|
||||
DAMASK_NaN
|
||||
pReal
|
||||
use IO, only: &
|
||||
IO_isBlank, &
|
||||
IO_open_file, &
|
||||
|
|
@ -78,33 +78,49 @@ program DAMASK_spectral_Driver
|
|||
! variables related to information from load case and geom file
|
||||
real(pReal), dimension(9) :: temp_valueVector = 0.0_pReal !< temporarily from loadcase file when reading in tensors (initialize to 0.0)
|
||||
logical, dimension(9) :: temp_maskVector = .false. !< temporarily from loadcase file when reading in tensors
|
||||
integer(pInt), parameter :: maxNchunksLoadcase = (1_pInt + 9_pInt)*3_pInt +& ! deformation, rotation, and stress
|
||||
(1_pInt + 1_pInt)*5_pInt +& ! time, (log)incs, temp, restartfrequency, and outputfrequency
|
||||
1_pInt ! dropguessing
|
||||
integer(pInt), dimension(1_pInt + maxNchunksLoadcase*2_pInt) :: positions ! this is longer than needed for geometry parsing
|
||||
integer(pInt), parameter :: maxNchunks = (1_pInt + 9_pInt)*3_pInt + & ! deformation, rotation, and stress
|
||||
(1_pInt + 1_pInt)*5_pInt + & ! time, (log)incs, temp, restartfrequency, and outputfrequency
|
||||
1_pInt, & ! dropguessing
|
||||
myUnit = 234_pInt !< file unit, DAMASK IO does not support newunit feature
|
||||
integer(pInt), dimension(1_pInt + maxNchunks*2_pInt) :: positions ! this is longer than needed for geometry parsing
|
||||
|
||||
integer(pInt) :: &
|
||||
N_l = 0_pInt, &
|
||||
N_t = 0_pInt, &
|
||||
N_n = 0_pInt, &
|
||||
N_Fdot = 0_pInt, & !
|
||||
myUnit = 234_pInt
|
||||
N_Fdot = 0_pInt
|
||||
character(len=1024) :: &
|
||||
line
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! loop variables, convergence etc.
|
||||
real(pReal), dimension(3,3), parameter :: ones = 1.0_pReal, zeros = 0.0_pReal
|
||||
real(pReal) :: time = 0.0_pReal, time0 = 0.0_pReal, timeinc = 1.0_pReal, timeinc_old = 0.0_pReal ! elapsed time, begin of interval, time interval, previous time interval
|
||||
logical :: guess
|
||||
integer(pInt) :: i, j, k, l, errorID, cutBackLevel = 0_pInt, stepFraction = 0_pInt
|
||||
integer(pInt) :: currentLoadcase = 0_pInt, inc, &
|
||||
totalIncsCounter = 0_pInt,&
|
||||
notConvergedCounter = 0_pInt, convergedCounter = 0_pInt, &
|
||||
resUnit = 0_pInt, statUnit = 0_pInt, lastRestartWritten = 0_pInt
|
||||
real(pReal), dimension(3,3), parameter :: &
|
||||
ones = 1.0_pReal, &
|
||||
zeros = 0.0_pReal
|
||||
real(pReal) :: &
|
||||
time = 0.0_pReal, & !< elapsed time
|
||||
time0 = 0.0_pReal, & !< begin of interval
|
||||
timeinc = 1.0_pReal, & !< current time interval
|
||||
timeinc_old = 0.0_pReal ! !< previous time interval
|
||||
logical :: &
|
||||
guess !< guess along former trajectory
|
||||
integer(pInt) :: &
|
||||
i, j, k, l, &
|
||||
errorID, &
|
||||
cutBackLevel = 0_pInt, & !< cut back level \f$ t = \frac{t_{inc}}{2^l} \f$
|
||||
stepFraction = 0_pInt !< fraction of current time interval
|
||||
integer(pInt) :: &
|
||||
currentLoadcase = 0_pInt, & !< current load case
|
||||
inc, & !< current increment in current load case
|
||||
totalIncsCounter = 0_pInt, & !< total No. of increments
|
||||
convergedCounter = 0_pInt, & !< No. of converged increments
|
||||
notConvergedCounter = 0_pInt, & !< No. of non-converged increments
|
||||
resUnit = 0_pInt, & !< file unit for results writing
|
||||
statUnit = 0_pInt, & !< file unit for statistics output
|
||||
lastRestartWritten = 0_pInt !< total increment No. at which last restart information was written
|
||||
character(len=6) :: loadcase_string
|
||||
character(len=1024) :: incInfo
|
||||
type(tLoadCase), allocatable, dimension(:) :: loadCases
|
||||
character(len=1024) :: incInfo !< string parsed to solution with information about current load case
|
||||
type(tLoadCase), allocatable, dimension(:) :: loadCases !< array of all load cases
|
||||
type(tSolutionState) solres
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -122,8 +138,8 @@ program DAMASK_spectral_Driver
|
|||
do
|
||||
read(myUnit,'(a1024)',END = 100) line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
positions = IO_stringPos(line,maxNchunksLoadcase)
|
||||
do i = 1_pInt, maxNchunksLoadcase, 1_pInt ! reading compulsory parameters for loadcase
|
||||
positions = IO_stringPos(line,maxNchunks)
|
||||
do i = 1_pInt, maxNchunks, 1_pInt ! reading compulsory parameters for loadcase
|
||||
select case (IO_lc(IO_stringValue(line,positions,i)))
|
||||
case('l','velocitygrad','velgrad','velocitygradient')
|
||||
N_l = N_l + 1_pInt
|
||||
|
|
@ -139,7 +155,7 @@ program DAMASK_spectral_Driver
|
|||
|
||||
100 if ((N_l + N_Fdot /= N_n) .or. (N_n /= N_t)) & ! sanity check
|
||||
call IO_error(error_ID=837_pInt,ext_msg = trim(loadCaseFile)) ! error message for incomplete loadcase
|
||||
allocate (loadCases(N_n))
|
||||
allocate (loadCases(N_n)) ! array of load cases
|
||||
loadCases%P%myType='p'
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -149,8 +165,8 @@ program DAMASK_spectral_Driver
|
|||
read(myUnit,'(a1024)',END = 101) line
|
||||
if (IO_isBlank(line)) cycle ! skip empty lines
|
||||
currentLoadCase = currentLoadCase + 1_pInt
|
||||
positions = IO_stringPos(line,maxNchunksLoadcase)
|
||||
do i = 1_pInt,maxNchunksLoadcase
|
||||
positions = IO_stringPos(line,maxNchunks)
|
||||
do i = 1_pInt,maxNchunks
|
||||
select case (IO_lc(IO_stringValue(line,positions,i)))
|
||||
case('fdot','dotf','l','velocitygrad','velgrad','velocitygradient') ! assign values for the deformation BC matrix
|
||||
temp_valueVector = 0.0_pReal
|
||||
|
|
@ -160,19 +176,20 @@ program DAMASK_spectral_Driver
|
|||
else
|
||||
loadCases(currentLoadCase)%deformation%myType = 'l'
|
||||
endif
|
||||
forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*'
|
||||
do j = 1_pInt,9_pInt
|
||||
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
|
||||
forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*' ! true if not a *
|
||||
do j = 1_pInt,9_pInt
|
||||
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j) ! read value where applicable
|
||||
enddo
|
||||
loadCases(currentLoadCase)%deformation%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
|
||||
loadCases(currentLoadCase)%deformation%maskFloat = merge(ones,zeros,&
|
||||
loadCases(currentLoadCase)%deformation%maskLogical)
|
||||
loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector)
|
||||
loadCases(currentLoadCase)%deformation%maskLogical = & ! logical mask in 3x3 notation
|
||||
transpose(reshape(temp_maskVector,[ 3,3]))
|
||||
loadCases(currentLoadCase)%deformation%maskFloat = & ! float (1.0/0.0) mask in 3x3 notation
|
||||
merge(ones,zeros,loadCases(currentLoadCase)%deformation%maskLogical)
|
||||
loadCases(currentLoadCase)%deformation%values = math_plain9to33(temp_valueVector) ! values in 3x3 notation
|
||||
case('p','pk1','piolakirchhoff','stress')
|
||||
temp_valueVector = 0.0_pReal
|
||||
forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*'
|
||||
forall (j = 1_pInt:9_pInt) temp_maskVector(j) = IO_stringValue(line,positions,i+j) /= '*' ! true if not a *
|
||||
do j = 1_pInt,9_pInt
|
||||
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j)
|
||||
if (temp_maskVector(j)) temp_valueVector(j) = IO_floatValue(line,positions,i+j) ! read value where applicable
|
||||
enddo
|
||||
loadCases(currentLoadCase)%P%maskLogical = transpose(reshape(temp_maskVector,[ 3,3]))
|
||||
loadCases(currentLoadCase)%P%maskFloat = merge(ones,zeros,&
|
||||
|
|
@ -190,7 +207,8 @@ program DAMASK_spectral_Driver
|
|||
case('f','freq','frequency','outputfreq') ! frequency of result writings
|
||||
loadCases(currentLoadCase)%outputfrequency = IO_intValue(line,positions,i+1_pInt)
|
||||
case('r','restart','restartwrite') ! frequency of writing restart information
|
||||
loadCases(currentLoadCase)%restartfrequency = max(0_pInt,IO_intValue(line,positions,i+1_pInt))
|
||||
loadCases(currentLoadCase)%restartfrequency = &
|
||||
max(0_pInt,IO_intValue(line,positions,i+1_pInt))
|
||||
case('guessreset','dropguessing')
|
||||
loadCases(currentLoadCase)%followFormerTrajectory = .false. ! do not continue to predict deformation along former trajectory
|
||||
case('euler') ! rotation of currentLoadCase given in euler angles
|
||||
|
|
@ -222,7 +240,6 @@ program DAMASK_spectral_Driver
|
|||
checkLoadcases: do currentLoadCase = 1_pInt, size(loadCases)
|
||||
write (loadcase_string, '(i6)' ) currentLoadCase
|
||||
write(6,'(1x,a,i6)') 'load case: ', currentLoadCase
|
||||
|
||||
if (.not. loadCases(currentLoadCase)%followFormerTrajectory) &
|
||||
write(6,'(2x,a)') 'drop guessing along trajectory'
|
||||
if (loadCases(currentLoadCase)%deformation%myType=='l') then
|
||||
|
|
@ -237,7 +254,7 @@ program DAMASK_spectral_Driver
|
|||
endif
|
||||
write(6,'(3(3(3x,f12.7,1x)/))',advance='no') &
|
||||
merge(math_transpose33(loadCases(currentLoadCase)%deformation%values), &
|
||||
reshape(spread(huge(1.0_pReal),1,9),[ 3,3]), &
|
||||
reshape(spread(huge(1.0_pReal),1,9),[ 3,3]), & ! print *** (huge) for undefined
|
||||
transpose(loadCases(currentLoadCase)%deformation%maskLogical))
|
||||
if (any(loadCases(currentLoadCase)%P%maskLogical .eqv. &
|
||||
loadCases(currentLoadCase)%deformation%maskLogical)) errorID = 831_pInt ! exclusive or masking only
|
||||
|
|
@ -267,9 +284,11 @@ program DAMASK_spectral_Driver
|
|||
loadCases(currentLoadCase)%outputfrequency
|
||||
write(6,'(2x,a,i5,/)') 'restart frequency: ', &
|
||||
loadCases(currentLoadCase)%restartfrequency
|
||||
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string)
|
||||
if (errorID > 0_pInt) call IO_error(error_ID = errorID, ext_msg = loadcase_string) ! exit with error message
|
||||
enddo checkLoadcases
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! doing initialization depending on selected solver
|
||||
select case (myspectralsolver)
|
||||
case (DAMASK_spectral_SolverBasic_label)
|
||||
call basic_init()
|
||||
|
|
@ -285,15 +304,15 @@ program DAMASK_spectral_Driver
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! write header of output file
|
||||
if (appendToOutFile) then
|
||||
if (appendToOutFile) then ! after restart, append to existing results file
|
||||
open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||
'.spectralOut',form='UNFORMATTED', position='APPEND', status='OLD')
|
||||
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||
'.sta',form='FORMATTED', position='APPEND', status='OLD')
|
||||
else
|
||||
else ! open new files ...
|
||||
open(newunit=resUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||
'.spectralOut',form='UNFORMATTED',status='REPLACE')
|
||||
write(resUnit) 'load', trim(loadCaseFile)
|
||||
write(resUnit) 'load', trim(loadCaseFile) ! ... and write header
|
||||
write(resUnit) 'workingdir', trim(getSolverWorkingDirectoryName())
|
||||
write(resUnit) 'geometry', trim(geometryFile)
|
||||
write(resUnit) 'resolution', res
|
||||
|
|
@ -309,7 +328,7 @@ program DAMASK_spectral_Driver
|
|||
write(resUnit) materialpoint_results(1_pInt:materialpoint_sizeResults,1,1_pInt:mesh_NcpElems) ! initial (non-deformed or read-in) results
|
||||
open(newunit=statUnit,file=trim(getSolverWorkingDirectoryName())//trim(getSolverJobName())//&
|
||||
'.sta',form='FORMATTED',status='REPLACE')
|
||||
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded'
|
||||
write(statUnit,'(a)') 'Increment Time CutbackLevel Converged IterationsNeeded' ! statistics file
|
||||
if (debugGeneral) write(6,'(a)') 'Header of result file written out'
|
||||
endif
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
|
|
@ -340,21 +359,24 @@ program DAMASK_spectral_Driver
|
|||
timeinc = loadCases(1)%time*(2.0_pReal**real(inc-1_pInt-loadCases(1)%incs ,pReal))
|
||||
endif
|
||||
else ! not-1st currentLoadCase of logarithmic scale
|
||||
timeinc = time0 *( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)) )
|
||||
timeinc = time0 * &
|
||||
( (1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( inc,pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal))&
|
||||
-(1.0_pReal + loadCases(currentLoadCase)%time/time0 )**(real( (inc-1_pInt),pReal)/&
|
||||
real(loadCases(currentLoadCase)%incs ,pReal)))
|
||||
endif
|
||||
endif
|
||||
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal)
|
||||
timeinc = timeinc / 2.0_pReal**real(cutBackLevel,pReal) ! depending on cut back level, decrease time step
|
||||
|
||||
if(totalIncsCounter >= restartInc) then ! do calculations (otherwise just forwarding)
|
||||
stepFraction = 0_pInt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new increment
|
||||
! loop over sub incs
|
||||
subIncLooping: do while (stepFraction/2_pInt**cutBackLevel <1_pInt)
|
||||
time = time + timeinc
|
||||
time = time + timeinc ! forward time
|
||||
stepFraction = stepFraction + 1_pInt
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! report begin of new increment
|
||||
write(6,'(1/,a)') '###########################################################################'
|
||||
write(6,'(a,es12.5'//&
|
||||
',a,'//IO_intOut(inc)//',a,'//IO_intOut(loadCases(currentLoadCase)%incs)//&
|
||||
|
|
@ -370,6 +392,8 @@ program DAMASK_spectral_Driver
|
|||
'-',stepFraction, '/', 2_pInt**cutBackLevel
|
||||
select case(myspectralsolver)
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! calculate solution
|
||||
case (DAMASK_spectral_SolverBasic_label)
|
||||
solres = basic_solution (&
|
||||
incInfo, guess,timeinc,timeinc_old, &
|
||||
|
|
@ -395,50 +419,52 @@ program DAMASK_spectral_Driver
|
|||
rotation_BC = loadCases(currentLoadCase)%rotation)
|
||||
#endif
|
||||
end select
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! check solution
|
||||
cutBack = .False.
|
||||
if(solres%termIll .or. .not. solres%converged) then ! no solution found
|
||||
if (cutBackLevel < maxCutBack) then ! do cut back
|
||||
write(6,'(/,a)') 'cut back detected'
|
||||
cutBack = .True.
|
||||
stepFraction = (stepFraction - 1_pInt) * 2_pInt**cutBackLevel
|
||||
stepFraction = (stepFraction - 1_pInt) * 2_pInt**cutBackLevel ! adjust to new denominator
|
||||
cutBackLevel = cutBackLevel + 1_pInt
|
||||
time = time - timeinc
|
||||
time = time - timeinc ! rewind time
|
||||
timeinc_old = timeinc
|
||||
timeinc = timeinc/2.0_pReal
|
||||
elseif (solres%termIll) then ! material point model cannot find a solution
|
||||
if(regridMode > 0_pInt) call quit(-1*(lastRestartWritten+1))
|
||||
call IO_error(850_pInt)
|
||||
if(regridMode > 0_pInt) call quit(-1*(lastRestartWritten+1)) ! regrid requested (mode 1 or 2)
|
||||
call IO_error(850_pInt) ! no regrid (give up)
|
||||
else
|
||||
if(regridMode == 2_pInt) call quit(-1*(lastRestartWritten+1))
|
||||
guess = .true. ! start guessing after first accepted (not converged) (sub)inc
|
||||
if(regridMode == 2_pInt) call quit(-1*(lastRestartWritten+1)) ! regrid also if BVP solver do not converge
|
||||
guess = .true. ! continue from non-converged solution and start guessing after accepted (sub)inc
|
||||
endif
|
||||
else
|
||||
guess = .true. ! start guessing after first converged (sub)inc
|
||||
endif
|
||||
if(guess) &
|
||||
if(guess) & ! write statistics about accepted solution
|
||||
write(statUnit,*) inc, time, cutBackLevel, solres%converged, solres%iterationsNeeded
|
||||
enddo subIncLooping
|
||||
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half subincs next inc
|
||||
if(solres%converged) then
|
||||
cutBackLevel = max(0_pInt, cutBackLevel - 1_pInt) ! try half number of subincs next inc
|
||||
if(solres%converged) then ! report converged inc
|
||||
convergedCounter = convergedCounter + 1_pInt
|
||||
write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
|
||||
'increment ', totalIncsCounter, ' converged'
|
||||
else
|
||||
write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') &
|
||||
write(6,'(A,'//IO_intOut(totalIncsCounter)//',A)') & ! report non-converged inc
|
||||
'increment ', totalIncsCounter, ' NOT converged'
|
||||
notConvergedCounter = notConvergedCounter + 1_pInt
|
||||
endif
|
||||
|
||||
if (mod(inc,loadCases(currentLoadCase)%outputFrequency) == 0_pInt) then ! at output frequency
|
||||
write(6,'(1/,a)') '... writing results to file ......................................'
|
||||
write(resUnit) materialpoint_results ! write result to file
|
||||
write(resUnit) materialpoint_results ! write result to file
|
||||
endif
|
||||
if( loadCases(currentLoadCase)%restartFrequency > 0_pInt .and. &
|
||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
mod(inc,loadCases(currentLoadCase)%restartFrequency) == 0_pInt) then ! at frequency of writing restart information set restart parameter for FEsolving (first call to CPFEM_general will write ToDo: true?)
|
||||
restartWrite = .true.
|
||||
lastRestartWritten = inc
|
||||
endif
|
||||
else !just time forwarding
|
||||
else !just time forwarding
|
||||
time = time + timeinc
|
||||
guess = .true.
|
||||
endif ! end calculation/forwarding
|
||||
|
|
@ -459,6 +485,8 @@ program DAMASK_spectral_Driver
|
|||
#endif
|
||||
end select
|
||||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! done report summary
|
||||
write(6,'(a)') ''
|
||||
write(6,'(a)') '##################################################################'
|
||||
write(6,'(i6.6,a,i6.6,a,f5.1,a)') convergedCounter, ' out of ', &
|
||||
|
|
@ -467,8 +495,8 @@ program DAMASK_spectral_Driver
|
|||
real(notConvergedCounter + convergedCounter,pReal)*100.0_pReal, &
|
||||
' %) increments converged!'
|
||||
close(resUnit)
|
||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt)
|
||||
call quit(0_pInt)
|
||||
if (notConvergedCounter > 0_pInt) call quit(3_pInt) ! error if some are not converged
|
||||
call quit(0_pInt) ! no complains ;)
|
||||
|
||||
end program DAMASK_spectral_Driver
|
||||
|
||||
|
|
|
|||
|
|
@ -51,14 +51,14 @@ module DAMASK_spectral_utilities
|
|||
|
||||
!--------------------------------------------------------------------------------------------------
|
||||
! derived types
|
||||
type tSolutionState !< return type of solution from spectral solver variants
|
||||
type tSolutionState !< return type of solution from spectral solver variants
|
||||
logical :: converged = .true.
|
||||
logical :: regrid = .false.
|
||||
logical :: termIll = .false.
|
||||
integer(pInt) :: iterationsNeeded = 0_pInt
|
||||
end type tSolutionState
|
||||
|
||||
type tBoundaryCondition !< set of parameters defining a boundary condition
|
||||
type tBoundaryCondition !< set of parameters defining a boundary condition
|
||||
real(pReal), dimension(3,3) :: values = 0.0_pReal
|
||||
real(pReal), dimension(3,3) :: maskFloat = 0.0_pReal
|
||||
logical, dimension(3,3) :: maskLogical = .false.
|
||||
|
|
|
|||
144
code/Makefile
144
code/Makefile
|
|
@ -9,17 +9,17 @@ SHELL = /bin/sh
|
|||
#
|
||||
# Install fftw3 (v3.3 is tested):
|
||||
# + execute
|
||||
# ./configure --enable-threads --enable-sse2 --enable-shared [-enable-float]
|
||||
# ./configure --enable-threads --enable-sse2 --enable-shared
|
||||
# make
|
||||
# make install
|
||||
# + specify in the "pathinfo:FFTW" where FFTW was installed.
|
||||
# We essentially look for two library files "lib/libfftw3_threads" and "lib/libfftw3",
|
||||
# so you can copy those, for instance,
|
||||
# into DAMASK_ROOT/lib/fftw/lib/ and specify "./fftw/" as pathinfo:FFTW
|
||||
# Use --enable-float in above configure for single precision...
|
||||
# Uses linux threads to parallelize fftw3
|
||||
#
|
||||
# Instead of the AMD Core Math Library a standard "lib(64)/liblapack.a/dylib/etc." can be used.
|
||||
# Instead of the AMD Core Math Library or the Intel Kernel Math Library
|
||||
# a standard "lib(64)/liblapack.a/dylib/etc." can be used.
|
||||
# leave pathinfo:ACML and pathinfo:IKML blank, but specify as pathinfo:LAPACK where the library folder is located
|
||||
########################################################################################
|
||||
# OPTIONS = standard (alternative): meaning
|
||||
|
|
@ -111,13 +111,11 @@ endif
|
|||
endif
|
||||
endif
|
||||
|
||||
ifeq "$(SOLVER)" "NEW"
|
||||
ifdef PETSC_DIR
|
||||
include ${PETSC_DIR}/conf/variables
|
||||
INCLUDE_DIRS +=${PETSC_FC_INCLUDES} -DPETSc
|
||||
LIBRARIES +=${PETSC_WITH_EXTERNAL_LIB}
|
||||
endif
|
||||
endif
|
||||
|
||||
ifdef STANDARD_CHECK
|
||||
STANDARD_CHECK_ifort =$(STANDARD_CHECK)
|
||||
|
|
@ -127,9 +125,9 @@ endif
|
|||
ifneq "$(FASTBUILD)" "YES"
|
||||
STANDARD_CHECK_ifort ?=-stand f08 -standard-semantics -warn stderrors
|
||||
STANDARD_CHECK_gfortran ?=-std=f2008 -fall-intrinsics
|
||||
#-std=2008ts for newer gfortran
|
||||
endif
|
||||
#-fall-intrinsics: all intrinsic procedures (including the GNU-specific extensions) are accepted. This can be useful with -std=f95 to force standard-compliance
|
||||
#-std=f2008ts: for newer gfortran
|
||||
# but get access to the full range of intrinsics available with gfortran. As a consequence, -Wintrinsics-std will be ignored and no user-defined
|
||||
# procedure with the same name as any intrinsic will be called except when it is explicitly declared external
|
||||
#-Wintrinsics-std: warnings because of "flush" is not longer in the standard, but still an intrinsic fuction of the compilers
|
||||
|
|
@ -221,7 +219,12 @@ COMPILE_OPTIONS_gfortran :=$(COMPILE_OPTIONS_gfortran)\
|
|||
-Wunsafe-loop-optimizations\
|
||||
-Wunused\
|
||||
-Wall\
|
||||
-Wextra
|
||||
-Wextra\
|
||||
-Wsuggest-attribute=const\
|
||||
-Wsuggest-attribute=pure\
|
||||
-Wsuggest-attribute=noreturn\
|
||||
-Wreal-q-constant\
|
||||
-pedantic-errors
|
||||
endif
|
||||
|
||||
#-xf95-cpp-input: preprocessor
|
||||
|
|
@ -246,13 +249,8 @@ endif
|
|||
# -value:
|
||||
# -parameter: find usused variables with "parameter" attribute
|
||||
#-Wextra:
|
||||
#-Wreal-q-constant: warn about real-literal-constants with 'q' exponent-letter
|
||||
###################################################################################################
|
||||
#OPTIONS FOR GFORTRAN 4.6
|
||||
#-Wsuggest-attribute=const:
|
||||
#-Wsuggest-attribute=noreturn:
|
||||
#-Wsuggest-attribute=pure:
|
||||
#-Wreal-q-constant: Warn about real-literal-constants with 'q' exponent-letter
|
||||
#
|
||||
#MORE OPTIONS FOR DEBUGGING DURING COMPILING
|
||||
#-Wline-truncation: too many warnings because we have comments beyond character 132
|
||||
#-Warray-temporarieswarnings: because we have many temporary arrays (performance issue?):
|
||||
|
|
@ -286,15 +284,14 @@ COMPILED_FILES = prec.o DAMASK_spectral_interface.o IO.o numerics.o debug.o math
|
|||
FEsolving.o mesh.o material.o lattice.o \
|
||||
constitutive_dislotwin.o constitutive_j2.o constitutive_phenopowerlaw.o \
|
||||
constitutive_titanmod.o constitutive_nonlocal.o constitutive_none.o constitutive.o crystallite.o \
|
||||
homogenization_RGC.o homogenization_isostrain.o homogenization.o CPFEM.o
|
||||
homogenization_RGC.o homogenization_isostrain.o homogenization.o CPFEM.o \
|
||||
DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o
|
||||
|
||||
|
||||
ifeq "$(SOLVER)" "NEW"
|
||||
ifdef PETSC_DIR
|
||||
PETSC_FILES = DAMASK_spectral_solverAL.o DAMASK_spectral_solverBasicPETSc.o
|
||||
COMPILED_FILES += $(PETSC_FILES)
|
||||
endif
|
||||
|
||||
COMPILED_FILES += DAMASK_spectral_utilities.o DAMASK_spectral_solverBasic.o $(PETSC_FILES)
|
||||
|
||||
DAMASK_spectral.exe: DAMASK_spectral_driver.o
|
||||
$(PREFIX) $(COMPILERNAME) $(OPENMP_FLAG_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(STANDARD_CHECK_$(F90)) \
|
||||
|
|
@ -315,89 +312,80 @@ DAMASK_spectral_solverBasicPETSc.o: DAMASK_spectral_solverBasicPETSc.f90\
|
|||
|
||||
DAMASK_spectral_utilities.o: DAMASK_spectral_utilities.f90\
|
||||
CPFEM.o
|
||||
else
|
||||
DAMASK_spectral.exe: DAMASK_spectral.o
|
||||
$(PREFIX) $(COMPILERNAME) $(OPENMP_FLAG_$(F90)) $(OPTIMIZATION_$(MAXOPTI)_$(F90)) $(STANDARD_CHECK_$(F90)) \
|
||||
-o DAMASK_spectral.exe DAMASK_spectral.o \
|
||||
$(COMPILED_FILES) $(LIB_DIRS) $(LIBRARIES) $(SUFFIX)
|
||||
CPFEM.o: CPFEM.f90\
|
||||
homogenization.o
|
||||
|
||||
DAMASK_spectral.o: DAMASK_spectral.f90 CPFEM.o
|
||||
$(PREFIX) $(COMPILERNAME) $(COMPILE_MAXOPTI) -c DAMASK_spectral.f90 $(SUFFIX)
|
||||
endif
|
||||
CPFEM.o: CPFEM.f90\
|
||||
homogenization.o
|
||||
homogenization.o: homogenization.f90\
|
||||
homogenization_RGC.o \
|
||||
homogenization_isostrain.o
|
||||
|
||||
homogenization.o: homogenization.f90\
|
||||
homogenization_RGC.o \
|
||||
homogenization_isostrain.o
|
||||
homogenization_RGC.o: homogenization_RGC.f90 \
|
||||
crystallite.o
|
||||
|
||||
homogenization_RGC.o: homogenization_RGC.f90 \
|
||||
crystallite.o
|
||||
homogenization_isostrain.o: homogenization_isostrain.f90 \
|
||||
crystallite.o
|
||||
|
||||
homogenization_isostrain.o: homogenization_isostrain.f90 \
|
||||
crystallite.o
|
||||
|
||||
crystallite.o: crystallite.f90 \
|
||||
constitutive.o
|
||||
crystallite.o: crystallite.f90 \
|
||||
constitutive.o
|
||||
|
||||
constitutive.o: constitutive.f90 \
|
||||
constitutive_nonlocal.o \
|
||||
constitutive_titanmod.o \
|
||||
constitutive_dislotwin.o \
|
||||
constitutive_phenopowerlaw.o \
|
||||
constitutive_j2.o \
|
||||
constitutive_none.o
|
||||
constitutive.o: constitutive.f90 \
|
||||
constitutive_nonlocal.o \
|
||||
constitutive_titanmod.o \
|
||||
constitutive_dislotwin.o \
|
||||
constitutive_phenopowerlaw.o \
|
||||
constitutive_j2.o \
|
||||
constitutive_none.o
|
||||
|
||||
constitutive_nonlocal.o: constitutive_nonlocal.f90 \
|
||||
lattice.o
|
||||
constitutive_nonlocal.o: constitutive_nonlocal.f90 \
|
||||
lattice.o
|
||||
|
||||
constitutive_titanmod.o: constitutive_titanmod.f90 \
|
||||
lattice.o
|
||||
constitutive_titanmod.o: constitutive_titanmod.f90 \
|
||||
lattice.o
|
||||
|
||||
constitutive_dislotwin.o: constitutive_dislotwin.f90 \
|
||||
lattice.o
|
||||
constitutive_dislotwin.o: constitutive_dislotwin.f90 \
|
||||
lattice.o
|
||||
|
||||
constitutive_phenopowerlaw.o: constitutive_phenopowerlaw.f90 \
|
||||
lattice.o
|
||||
constitutive_phenopowerlaw.o: constitutive_phenopowerlaw.f90 \
|
||||
lattice.o
|
||||
|
||||
constitutive_j2.o: constitutive_j2.f90 \
|
||||
lattice.o
|
||||
constitutive_j2.o: constitutive_j2.f90 \
|
||||
lattice.o
|
||||
|
||||
constitutive_none.o: constitutive_none.f90 \
|
||||
lattice.o
|
||||
constitutive_none.o: constitutive_none.f90 \
|
||||
lattice.o
|
||||
|
||||
lattice.o: lattice.f90 \
|
||||
material.o
|
||||
lattice.o: lattice.f90 \
|
||||
material.o
|
||||
|
||||
material.o: material.f90 \
|
||||
mesh.o
|
||||
material.o: material.f90 \
|
||||
mesh.o
|
||||
|
||||
mesh.o: mesh.f90 \
|
||||
FEsolving.o \
|
||||
math.o
|
||||
mesh.o: mesh.f90 \
|
||||
FEsolving.o \
|
||||
math.o
|
||||
|
||||
FEsolving.o: FEsolving.f90 \
|
||||
debug.o
|
||||
FEsolving.o: FEsolving.f90 \
|
||||
debug.o
|
||||
|
||||
math.o: math.f90 \
|
||||
debug.o
|
||||
math.o: math.f90 \
|
||||
debug.o
|
||||
|
||||
debug.o: debug.f90 \
|
||||
numerics.o
|
||||
debug.o: debug.f90 \
|
||||
numerics.o
|
||||
|
||||
numerics.o: numerics.f90 \
|
||||
IO.o
|
||||
|
||||
IO.o: IO.f90 \
|
||||
DAMASK_spectral_interface.o
|
||||
numerics.o: numerics.f90 \
|
||||
IO.o
|
||||
|
||||
IO.o: IO.f90 \
|
||||
DAMASK_spectral_interface.o
|
||||
|
||||
DAMASK_spectral_interface.o: DAMASK_spectral_interface.f90 \
|
||||
prec.o
|
||||
DAMASK_spectral_interface.o: DAMASK_spectral_interface.f90 \
|
||||
prec.o
|
||||
ifeq "$(F90)" "gfortran" # fno-range-check because NaN is defined in prec
|
||||
prec.o: prec.f90
|
||||
prec.o: prec.f90
|
||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) -c -fno-range-check prec.f90 $(SUFFIX)
|
||||
else
|
||||
prec.o: prec.f90
|
||||
prec.o: prec.f90
|
||||
$(PREFIX) $(COMPILERNAME) $(COMPILE) -c prec.f90 $(SUFFIX)
|
||||
endif
|
||||
|
||||
|
|
|
|||
|
|
@ -131,16 +131,16 @@ subroutine numerics_init
|
|||
IO_floatValue, &
|
||||
IO_intValue, &
|
||||
IO_warning
|
||||
#ifndef Marc ! Use the standard conforming module file for omp if using the spectral solver
|
||||
!$ use OMP_LIB, only: omp_set_num_threads
|
||||
#endif
|
||||
#ifndef Marc
|
||||
!$ use OMP_LIB, only: omp_set_num_threads ! Use the standard conforming module file for omp if not using MSC.Marc
|
||||
#endif
|
||||
implicit none
|
||||
#ifdef Marc ! use the non F90 standard include file because some versions of Marc and Abaqus crash when using the module
|
||||
!$ include "omp_lib.h"
|
||||
#endif
|
||||
#ifdef Marc
|
||||
!$ include "omp_lib.h" ! use the non F90 standard include file to prevent crashes with some versions of MSC.Marc
|
||||
#endif
|
||||
#ifdef PETSc
|
||||
PetscErrorCode :: ierr
|
||||
#endif
|
||||
#endif
|
||||
integer(pInt), parameter :: fileunit = 300_pInt ,&
|
||||
maxNchunks = 2_pInt
|
||||
!$ integer :: gotDAMASK_NUM_THREADS = 1
|
||||
|
|
|
|||
Loading…
Reference in New Issue