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fixed restarting for Polarisation and AL, updated corresponding test and polished output in python (some statements are screwed up when making them Python3 compatible)

This commit is contained in:
Martin Diehl 2013-09-20 14:22:37 +00:00
parent 1915215c6f
commit a0f304021f
4 changed files with 35 additions and 38 deletions
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23
code/DAMASK_spectral_solverAL.f90
View File

@ -208,30 +208,26 @@ subroutine AL_init(temperature)
if (restartInc == 1_pInt) then ! no deformation (no restart) if (restartInc == 1_pInt) then ! no deformation (no restart)
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
F_lastInc2 = F_lastInc F_lastInc2 = F_lastInc
F_lambda_lastInc = F_lastInc
F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)]) F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
F_lambda = F F_lambda = F
F_lambda_lastInc = F_lastInc
elseif (restartInc > 1_pInt) then elseif (restartInc > 1_pInt) then
if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) & if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) &
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
'reading values of increment', restartInc - 1_pInt, 'from file' 'reading values of increment', restartInc - 1_pInt, 'from file'
flush(6) flush(6)
call IO_read_realFile(777,'F',& call IO_read_realFile(777,'F', trim(getSolverJobName()),size(F))
trim(getSolverJobName()),size(F))
read (777,rec=1) F read (777,rec=1) F
close (777) close (777)
call IO_read_realFile(777,'F_lastInc',& call IO_read_realFile(777,'F_lastInc', trim(getSolverJobName()),size(F_lastInc))
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc read (777,rec=1) F_lastInc
close (777) close (777)
call IO_read_realFile(777,'F_lastInc2',& call IO_read_realFile(777,'F_lastInc2', trim(getSolverJobName()),size(F_lastInc2))
trim(getSolverJobName()),size(F_lastInc2))
read (777,rec=1) F_lastInc2 read (777,rec=1) F_lastInc2
close (777) close (777)
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
call IO_read_realFile(777,'F_lambda',& call IO_read_realFile(777,'F_lambda',trim(getSolverJobName()),size(F_lambda))
trim(getSolverJobName()),size(F_lambda))
read (777,rec=1) F_lambda read (777,rec=1) F_lambda
close (777) close (777)
call IO_read_realFile(777,'F_lambda_lastInc',& call IO_read_realFile(777,'F_lambda_lastInc',&
@ -264,9 +260,9 @@ subroutine AL_init(temperature)
C_volAvg = temp3333_Real C_volAvg = temp3333_Real
endif endif
call Utilities_updateGamma(temp3333_Real2,.True.) call Utilities_updateGamma(C_minMaxAvg,.True.)
C_scale = temp3333_Real2 C_scale = C_minMaxAvg
S_scale = math_invSym3333(temp3333_Real2) S_scale = math_invSym3333(C_minMaxAvg)
end subroutine AL_init end subroutine AL_init
@ -348,6 +344,9 @@ use mesh, only: &
call IO_write_jobRealFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file call IO_write_jobRealFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc write (777,rec=1) F_lastInc
close (777) close (777)
call IO_write_jobRealFile(777,'F_lastInc2',size(F_lastInc2)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc2
close (777)
call IO_write_jobRealFile(777,'F_lambda',size(F_lambda)) ! writing deformation gradient field to file call IO_write_jobRealFile(777,'F_lambda',size(F_lambda)) ! writing deformation gradient field to file
write (777,rec=1) F_lambda write (777,rec=1) F_lambda
close (777) close (777)

11
code/DAMASK_spectral_solverBasicPETSc.f90
View File

@ -187,7 +187,7 @@ subroutine basicPETSc_init(temperature)
call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with call DMDAVecGetArrayF90(da,solution_vec,F,ierr); CHKERRQ(ierr) ! get the data out of PETSc to work with
if (restartInc == 1_pInt) then ! no deformation (no restart) if (restartInc == 1_pInt) then ! no deformation (no restart)
F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity F_lastInc = spread(spread(spread(math_I3,3,grid(1)),4,grid(2)),5,grid(3)) ! initialize to identity
F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)]) F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)])
F_lastInc2 = F_lastInc F_lastInc2 = F_lastInc
elseif (restartInc > 1_pInt) then ! using old values from file elseif (restartInc > 1_pInt) then ! using old values from file
@ -195,16 +195,13 @@ subroutine basicPETSc_init(temperature)
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
'reading values of increment', restartInc - 1_pInt, 'from file' 'reading values of increment', restartInc - 1_pInt, 'from file'
flush(6) flush(6)
call IO_read_realFile(777,'F',& call IO_read_realFile(777,'F',trim(getSolverJobName()),size(F))
trim(getSolverJobName()),size(F))
read (777,rec=1) F read (777,rec=1) F
close (777) close (777)
call IO_read_realFile(777,'F_lastInc',& call IO_read_realFile(777,'F_lastInc',trim(getSolverJobName()),size(F_lastInc))
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc read (777,rec=1) F_lastInc
close (777) close (777)
call IO_read_realFile(777,'F_lastInc2',& call IO_read_realFile(777,'F_lastInc2',trim(getSolverJobName()),size(F_lastInc2))
trim(getSolverJobName()),size(F_lastInc2))
read (777,rec=1) F_lastInc2 read (777,rec=1) F_lastInc2
close (777) close (777)
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F

15
code/DAMASK_spectral_solverPolarisation.f90
View File

@ -216,22 +216,18 @@ subroutine Polarisation_init(temperature)
write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') &
'reading values of increment', restartInc - 1_pInt, 'from file' 'reading values of increment', restartInc - 1_pInt, 'from file'
flush(6) flush(6)
call IO_read_realFile(777,'F',& call IO_read_realFile(777,'F',trim(getSolverJobName()),size(F))
trim(getSolverJobName()),size(F))
read (777,rec=1) F read (777,rec=1) F
close (777) close (777)
call IO_read_realFile(777,'F_lastInc',& call IO_read_realFile(777,'F_lastInc',trim(getSolverJobName()),size(F_lastInc))
trim(getSolverJobName()),size(F_lastInc))
read (777,rec=1) F_lastInc read (777,rec=1) F_lastInc
close (777) close (777)
call IO_read_realFile(777,'F_lastInc2',& call IO_read_realFile(777,'F_lastInc2',trim(getSolverJobName()),size(F_lastInc2))
trim(getSolverJobName()),size(F_lastInc2))
read (777,rec=1) F_lastInc2 read (777,rec=1) F_lastInc2
close (777) close (777)
F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F
F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc F_aim_lastInc = sum(sum(sum(F_lastInc,dim=5),dim=4),dim=3) * wgt ! average of F_lastInc
call IO_read_realFile(777,'F_tau',& call IO_read_realFile(777,'F_tau',trim(getSolverJobName()),size(F_tau))
trim(getSolverJobName()),size(F_tau))
read (777,rec=1) F_tau read (777,rec=1) F_tau
close (777) close (777)
call IO_read_realFile(777,'F_tau_lastInc',& call IO_read_realFile(777,'F_tau_lastInc',&
@ -348,6 +344,9 @@ use mesh, only: &
call IO_write_jobRealFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file call IO_write_jobRealFile(777,'F_lastInc',size(F_lastInc)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc write (777,rec=1) F_lastInc
close (777) close (777)
call IO_write_jobRealFile(777,'F_lastInc2',size(F_lastInc2)) ! writing F_lastInc field to file
write (777,rec=1) F_lastInc2
close (777)
call IO_write_jobRealFile(777,'F_tau',size(F_tau)) ! writing deformation gradient field to file call IO_write_jobRealFile(777,'F_tau',size(F_tau)) ! writing deformation gradient field to file
write (777,rec=1) F_tau write (777,rec=1) F_tau
close (777) close (777)

24
lib/damask/test/test.py
View File

@ -159,7 +159,7 @@ class Test():
try: try:
shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i]))
except: except:
print('Reference2Current: Unable to copy file ', file) print('Reference2Current: Unable to copy file %s'%file)
def copy_Base2Current(self,sourceDir,sourcefiles=[],targetfiles=[]): def copy_Base2Current(self,sourceDir,sourcefiles=[],targetfiles=[]):
@ -170,7 +170,7 @@ class Test():
shutil.copy2(os.path.join(source,file),self.fileInCurrent(targetfiles[i])) shutil.copy2(os.path.join(source,file),self.fileInCurrent(targetfiles[i]))
except: except:
print(os.path.join(source,file)) print(os.path.join(source,file))
print('Base2Current: Unable to copy file ', file) print('Base2Current: Unable to copy file %s'%file)
def copy_Current2Reference(self,sourcefiles=[],targetfiles=[]): def copy_Current2Reference(self,sourcefiles=[],targetfiles=[]):
@ -179,7 +179,7 @@ class Test():
try: try:
shutil.copy2(self.fileInCurrent(file),self.fileInReference(targetfiles[i])) shutil.copy2(self.fileInCurrent(file),self.fileInReference(targetfiles[i]))
except: except:
print('Current2Reference: Unable to copy file ', file) print('Current2Reference: Unable to copy file %s'%file)
def copy_Proof2Current(self,sourcefiles=[],targetfiles=[]): def copy_Proof2Current(self,sourcefiles=[],targetfiles=[]):
@ -188,7 +188,7 @@ class Test():
try: try:
shutil.copy2(self.fileInProof(file),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInProof(file),self.fileInCurrent(targetfiles[i]))
except: except:
print('Proof2Current: Unable to copy file ', file) print('Proof2Current: Unable to copy file %s'%file)
def copy_Current2Current(self,sourcefiles=[],targetfiles=[]): def copy_Current2Current(self,sourcefiles=[],targetfiles=[]):
@ -196,7 +196,7 @@ class Test():
try: try:
shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i])) shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i]))
except: except:
print('Current2Current: Unable to copy file ', file) print('Current2Current: Unable to copy file %s'%file)
def execute_inCurrentDir(self,cmd,outfile='execute_log.txt'): def execute_inCurrentDir(self,cmd,outfile='execute_log.txt'):
@ -210,7 +210,7 @@ class Test():
def compare_Array(self,File1,File2): def compare_Array(self,File1,File2):
import numpy import numpy
print('comparing\n ' , File1,'\n ', File2) print('comparing\n '+File1+'\n '+File2)
refFile = open(File1) refFile = open(File1)
table = damask.ASCIItable(refFile) table = damask.ASCIItable(refFile)
table.head_read() table.head_read()
@ -224,7 +224,8 @@ class Test():
max_loc=numpy.argmax(abs(refArrayNonZero[curArray.nonzero()]/curArray[curArray.nonzero()]-1.)) max_loc=numpy.argmax(abs(refArrayNonZero[curArray.nonzero()]/curArray[curArray.nonzero()]-1.))
refArrayNonZero = refArrayNonZero[curArray.nonzero()] refArrayNonZero = refArrayNonZero[curArray.nonzero()]
curArray = curArray[curArray.nonzero()] curArray = curArray[curArray.nonzero()]
print(' ********\n * maximum relative error ',max_err,' for ', refArrayNonZero[max_loc],' and ',curArray[max_loc],'\n ********') print(' ********\n * maximum relative error %f for %i and %i\n ********'
%(max_err, refArrayNonZero[max_loc],curArray[max_loc]))
return max_err return max_err
else: else:
raise Exception('mismatch in array size to compare') raise Exception('mismatch in array size to compare')
@ -246,7 +247,7 @@ class Test():
absoluteTolerance=False,perLine=False,skipLines=[]): absoluteTolerance=False,perLine=False,skipLines=[]):
import numpy import numpy
print('comparing ASCII Tables\n' , file0,'\n', file1) print('comparing ASCII Tables\n' + file0 + '\n' + file1)
if normHeadings == '': normHeadings = headings0 if normHeadings == '': normHeadings = headings0
if len(headings0) == len(headings1) == len(normHeadings): #check if comparison is possible and determine lenght of columns if len(headings0) == len(headings1) == len(normHeadings): #check if comparison is possible and determine lenght of columns
@ -330,7 +331,8 @@ class Test():
for i in xrange(dataLength): for i in xrange(dataLength):
myData = numpy.array(map(float,table1.data[column[1][i]:\ myData = numpy.array(map(float,table1.data[column[1][i]:\
column[1][i]+length[i]]),'d') column[1][i]+length[i]]),'d')
maxError[i] = max(maxError[i],numpy.linalg.norm(numpy.reshape(myData-data[i][line1-len(skipLines),:],shape[i]))/norm[i][line1-len(skipLines)]) maxError[i] = max(maxError[i],numpy.linalg.norm(numpy.reshape(myData-data[i][line1-len(skipLines),:],shape[i]))/
norm[i][line1-len(skipLines)])
line1 +=1 line1 +=1
if (line0 != line1): raise Exception('found ', line0, ' lines in 1. table and ', line1, ' in 2. table') if (line0 != line1): raise Exception('found ', line0, ' lines in 1. table and ', line1, ' in 2. table')
@ -338,9 +340,9 @@ class Test():
print(' ********') print(' ********')
for i in xrange(dataLength): for i in xrange(dataLength):
if absTol[i]: if absTol[i]:
print(' * maximum absolute error ',maxError[i],' for ', headings0[i]['label'],' and ',headings1[i]['label']) print(' * maximum absolute error %f for %s and %s'%(maxError[i],headings0[i]['label'],headings1[i]['label']))
else: else:
print(' * maximum relative error ',maxError[i],' for ', headings0[i]['label'],' and ',headings1[i]['label']) print(' * maximum relative error %f for %s and %s'%(maxError[i],headings0[i]['label'],headings1[i]['label']))
print(' ********') print(' ********')
return maxError return maxError