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DAMASK_EICMD
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corrected determination of restartRead from commandline (now done by FEsolving instead of DAMASK_spectral_interface) 

recompiled fftw libraries with --enable-shared to make them work with f2py
added draft for compilation test of spectral solver
This commit is contained in:
Martin Diehl 2011-11-07 18:25:10 +00:00
parent a1adef07ef
commit de96e99bca
12 changed files with 45 additions and 1079 deletions
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34
code/DAMASK_spectral.f90
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@ -68,9 +68,10 @@ program DAMASK_spectral
integer(pInt), dimension (1 + maxNchunksLoadcase*2) :: posLoadcase
integer(pInt), parameter :: maxNchunksGeom = 7_pInt ! 4 identifiers, 3 values
integer(pInt), dimension (1 + maxNchunksGeom*2) :: posGeom
integer(pInt) :: myUnit, N_l, N_s, N_t, N_n, N_Fdot, headerLength ! numbers of identifiers
integer(pInt) :: headerLength,N_l=0_pInt, N_t=0_pInt, N_n=0_pInt, N_Fdot=0_pInt
integer(pInt), parameter :: myUnit = 234_pInt
character(len=1024) :: path, line, keyword
logical :: gotResolution, gotDimension, gotHomogenization
logical :: gotResolution =.false., gotDimension =.false., gotHomogenization = .false.
! variables storing information from loadcase file
!ToDo: create Data Structure loadcase
@ -91,14 +92,14 @@ program DAMASK_spectral
! variables storing information from geom file
real(pReal) :: wgt
real(pReal), dimension(3) :: geomdimension ! physical dimension of volume element in each direction
real(pReal), dimension(3) :: geomdimension = 0.0_pReal ! physical dimension of volume element in each direction
integer(pInt) :: homog ! homogenization scheme used
integer(pInt), dimension(3) :: resolution ! resolution (number of Fourier points) in each direction
logical :: spectralPictureMode ! indicating 1 to 1 mapping of FP to microstructure
integer(pInt), dimension(3) :: resolution = 1_pInt ! resolution (number of Fourier points) in each direction
logical :: spectralPictureMode = .false. ! indicating 1 to 1 mapping of FP to microstructure
! stress etc.
! stress, stiffness and compliance average etc.
real(pReal), dimension(3,3) :: pstress, pstress_av, defgrad_av, &
defgradAim, defgradAimOld, defgradAimCorr,&
defgradAim = math_I3, defgradAimOld= math_I3, defgradAimCorr= math_I3,&
mask_stress, mask_defgrad, fDot, &
pstress_av_load, defgradAim_lab ! quantities rotated to other coordinate system
real(pReal), dimension(3,3,3,3) :: dPdF, c0_reference, c_current, s_prev, c_prev ! stiffness and compliance
@ -106,7 +107,7 @@ program DAMASK_spectral
real(pReal), dimension(6,6) :: dsde ! small strain stiffness
real(pReal), dimension(9,9) :: s_prev99, c_prev99 ! compliance and stiffness in matrix notation
real(pReal), dimension(:,:), allocatable :: s_reduced, c_reduced ! reduced compliance and stiffness (only for stress BC)
integer(pInt) :: size_reduced ! number of stress BCs
integer(pInt) :: size_reduced = 0.0_pReal ! number of stress BCs
! pointwise data
real(pReal), dimension(:,:,:,:,:), allocatable :: workfft, defgrad, defgradold
@ -150,15 +151,8 @@ program DAMASK_spectral
!$OMP END CRITICAL (write2out)
! Reading the loadcase file and allocate variables
myUnit = 234_pInt
path = getLoadcaseName()
if (.not. IO_open_file(myUnit,path)) call IO_error(error_ID=30,ext_msg = trim(path))
N_l = 0_pInt
N_Fdot = 0_pInt
N_t = 0_pInt
N_n = 0_pInt
rewind(myUnit)
do
read(myUnit,'(a1024)',END = 100) line
@ -261,17 +255,10 @@ program DAMASK_spectral
101 close(myUnit)
!read header of geom file to get the information needed before the complete geom file is intepretated by mesh.f90
gotResolution =.false.
gotDimension =.false.
gotHomogenization = .false.
spectralPictureMode = .false.
resolution = 1_pInt
geomdimension = 0.0_pReal
path = getModelName()
if (.not. IO_open_file(myUnit,trim(path)//InputFileExtension))&
call IO_error(error_ID=101,ext_msg = trim(path)//InputFileExtension)
rewind(myUnit)
read(myUnit,'(a1024)') line
posGeom = IO_stringPos(line,2)
@ -332,9 +319,6 @@ program DAMASK_spectral
allocate (xi (3,resolution(1)/2+1,resolution(2),resolution(3))); xi =0.0_pReal
wgt = 1.0_pReal/real(resolution(1)*resolution(2)*resolution(3), pReal)
defgradAim = math_I3
defgradAimOld = math_I3
defgrad_av = math_I3
! Initialization of CPFEM_general (= constitutive law) and of deformation gradient field
call CPFEM_initAll(bc_temperature(1),1_pInt,1_pInt)

32
code/DAMASK_spectral_interface.f90
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@ -27,9 +27,7 @@ MODULE DAMASK_interface
character(len=64), parameter :: FEsolver = 'Spectral'
character(len=5), parameter :: InputFileExtension = '.geom'
character(len=4), parameter :: LogFileExtension = '.log' !until now, we don't have a log file. But IO.f90 requires it
logical :: restartReadFlag
character(len=1024) :: geometryParameter,loadcaseParameter
integer(pInt) :: restartReadStep
CONTAINS
!********************************************************************
@ -41,11 +39,7 @@ subroutine DAMASK_interface_init()
implicit none
character(len=1024) commandLine
integer(pInt):: i, start, length
start = 0_pInt
length= 0_pInt
restartReadFlag = .false.
integer(pInt):: i, start = 0_pInt, length=0_pInt
call get_command(commandLine)
@ -66,7 +60,6 @@ subroutine DAMASK_interface_init()
geometryParameter = '' ! should be empty
geometryParameter(1:length)=commandLine(start:start+length)
call get_command(commandLine)
do i=1,len(commandLine) ! remove capitals
if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
enddo
@ -85,24 +78,6 @@ subroutine DAMASK_interface_init()
loadcaseParameter = '' ! should be empty
loadcaseParameter(1:length)=commandLine(start:start+length)
do i=1,len(commandLine) ! remove capitals
if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
enddo
start = index(commandLine,'-r',.true.) + 3_pInt ! search for '-r' and jump forward to given name
if (index(commandLine,'--restart',.true.)>0) then ! if '--restart' is found, use that (contains '-r')
start = index(commandLine,'--restart',.true.) + 10_pInt
endif
length = index(commandLine(start:len(commandLine)),' ',.false.)
restartReadStep = 0_pInt
if(start/=3_pInt) then ! found -r
read(commandLine(start:start+length),'(I12)') restartReadStep
restartReadFlag = .true.
endif
if(restartReadStep<1_pInt .and. RestartReadFlag .eq. .true.) stop 'Invalid Restart Parameter, terminating DAMASK' ! Functions from IO.f90 are not available
!$OMP CRITICAL (write2out)
write(6,*)
write(6,*) '<<<+- DAMASK_spectral_interface init -+>>>'
@ -110,11 +85,6 @@ subroutine DAMASK_interface_init()
write(6,*)
write(6,*) 'Geometry Parameter: ', trim(geometryParameter)
write(6,*) 'Loadcase Parameter: ', trim(loadcaseParameter)
if (restartReadFlag) then
write(6,*) 'Restart Read: ', restartReadFlag
else
write(6,'(a,I5)') ' Restart Read at Step: ', restartReadStep
endif
write(6,*)
!$OMP END CRITICAL (write2out)

21
code/FEsolving.f90
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@ -25,7 +25,7 @@
use prec, only: pInt,pReal
implicit none
integer(pInt) :: cycleCounter = 0_pInt, theInc = -1_pInt
integer(pInt) :: cycleCounter = 0_pInt, theInc = -1_pInt, restartReadStep = 0_pInt
real(pReal) :: theTime = 0.0_pReal, theDelta = 0.0_pReal
logical :: lastIncConverged = .false.,outdatedByNewInc = .false.,outdatedFFN1 = .false.,terminallyIll = .false.
logical :: symmetricSolver = .false.
@ -54,16 +54,29 @@
integer(pInt), parameter :: fileunit = 222
integer(pInt), parameter :: maxNchunks = 6
integer(pInt) i
integer(pInt):: i, start = 0_pInt, length=0_pInt
integer(pInt), dimension(1+2*maxNchunks) :: positions
character(len=64) tag
character(len=1024) line
character(len=1024) line, commandLine
FEmodelGeometry = getModelName()
if (IO_open_inputFile(fileunit,FEmodelGeometry)) then
if(trim(FEsolver)=='Spectral') then
restartWrite = .true.
restartRead = restartReadFlag
call get_command(commandLine) ! may contain capitals
do i=1,len(commandLine) ! remove capitals
if(64<iachar(commandLine(i:i)) .and. iachar(commandLine(i:i))<91) commandLine(i:i) =achar(iachar(commandLine(i:i))+32)
enddo
start = index(commandLine,'-r',.true.) + 3_pInt ! search for '-r' and jump forward to given name
if (index(commandLine,'--restart',.true.)>0) then ! if '--restart' is found, use that (contains '-r')
start = index(commandLine,'--restart',.true.) + 10_pInt
endif
length = index(commandLine(start:len(commandLine)),' ',.false.)
if(start/=3_pInt) then ! found at least -r
read(commandLine(start:start+length),'(I12)') restartReadStep
restartRead = .true.
endif
if(restartReadStep<0_pInt .and. restartRead .eq. .true.) call IO_error(error_ID=47)
else
rewind(fileunit)
do

2
code/IO.f90
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@ -1166,6 +1166,8 @@ endfunction
msg = 'incomplete information in spectral mesh header'
case (46)
msg = 'not a rotation defined for loadcase rotation'
case (47)
msg = 'invalid restart increment given'
case (50)
msg = 'writing constitutive output description'
case (100)

4
code/makefile
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@ -6,8 +6,8 @@
# Uses OpenMP to parallelise the material subroutines (set number of cores with "export DAMASK_NUM_THREADS=n" to n)
# Uses linux threads to parallelise fftw3
# Besides of the f90 files written at MPIE, the two library files of fftw3 "libfftw3_threads.a" "libfftw3.a" are also needed
# Install fftw3 (v3.3 is tested) with "./configure --enable-threads --enable-sse2" and "make"; "make install" is not needed
# as long as the two library files "libfftw3_threads.a" "libfftw3.a" are copied to the code/include directory.
# Install fftw3 (v3.3 is tested) with "./configure --enable-threads --enable-sse2 --enable-shared" and "make"; "make install" is not needed
# as long as the two library files "libfftw3_threads.a" "libfftw3.a" are copied to the /../lib directory.
# Need the AMD Core Math Library to be installed (v 4.4 is tested)
########################################################################################
# OPTIONS = standard (alternative): meaning

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lib/libfftw3.a
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lib/libfftw3_omp.a
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lib/libfftw3_threads.a
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1002
lib/postprocessingMath.f90
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9
processing/post/make_postprocessingMath
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@ -10,8 +10,7 @@
# for the generation of the pyf file:
# f2py -m postprocessingMath -h postprocessingMath.pyf --overwrite-signature postprocessingMath.f90
# --f90flags="-heap-arrays 500000000" prevents segmentation fault for large arrays
# use ./configure --enable-portable-binary --enable-shared for the compilation of fftw3.2.2
# use ./configure --enable-sse2 --enable-shared for the compilation of fftw3.3
if [[ $# -eq 0 ]]; then
wd='.'
@ -20,10 +19,10 @@ else
fi
cd $wd
rm postprocessingMath.so
rm ../../lib/postprocessingMath.so
f2py -c \
postprocessingMath.pyf \
postprocessingMath.f90 \
-lfftw3 \
../../lib/libfftw3.a \
-L./
#--f90flags="-heap-arrays 500000000"
mv postprocessingMath.so ../../lib/.