diff --git a/code/DAMASK_spectral_solverAL.f90 b/code/DAMASK_spectral_solverAL.f90 index 8e2982825..3b8ddf30e 100644 --- a/code/DAMASK_spectral_solverAL.f90 +++ b/code/DAMASK_spectral_solverAL.f90 @@ -208,30 +208,26 @@ subroutine AL_init(temperature) 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_lastInc2 = F_lastInc - F_lambda_lastInc = F_lastInc F = reshape(F_lastInc,[9,grid(1),grid(2),grid(3)]) F_lambda = F + F_lambda_lastInc = F_lastInc elseif (restartInc > 1_pInt) then if (iand(debug_level(debug_spectral),debug_spectralRestart)/= 0) & write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & 'reading values of increment', restartInc - 1_pInt, 'from file' flush(6) - call IO_read_realFile(777,'F',& - trim(getSolverJobName()),size(F)) + call IO_read_realFile(777,'F', trim(getSolverJobName()),size(F)) read (777,rec=1) F close (777) - call IO_read_realFile(777,'F_lastInc',& - trim(getSolverJobName()),size(F_lastInc)) + call IO_read_realFile(777,'F_lastInc', trim(getSolverJobName()),size(F_lastInc)) read (777,rec=1) F_lastInc close (777) - call IO_read_realFile(777,'F_lastInc2',& - trim(getSolverJobName()),size(F_lastInc2)) + call IO_read_realFile(777,'F_lastInc2', trim(getSolverJobName()),size(F_lastInc2)) read (777,rec=1) F_lastInc2 close (777) 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 - call IO_read_realFile(777,'F_lambda',& - trim(getSolverJobName()),size(F_lambda)) + call IO_read_realFile(777,'F_lambda',trim(getSolverJobName()),size(F_lambda)) read (777,rec=1) F_lambda close (777) call IO_read_realFile(777,'F_lambda_lastInc',& @@ -264,9 +260,9 @@ subroutine AL_init(temperature) C_volAvg = temp3333_Real endif - call Utilities_updateGamma(temp3333_Real2,.True.) - C_scale = temp3333_Real2 - S_scale = math_invSym3333(temp3333_Real2) + call Utilities_updateGamma(C_minMaxAvg,.True.) + C_scale = C_minMaxAvg + S_scale = math_invSym3333(C_minMaxAvg) 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 write (777,rec=1) F_lastInc 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 write (777,rec=1) F_lambda close (777) diff --git a/code/DAMASK_spectral_solverBasicPETSc.f90 b/code/DAMASK_spectral_solverBasicPETSc.f90 index a4de0f5c4..f134cbc50 100644 --- a/code/DAMASK_spectral_solverBasicPETSc.f90 +++ b/code/DAMASK_spectral_solverBasicPETSc.f90 @@ -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 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_lastInc2 = F_lastInc 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)') & 'reading values of increment', restartInc - 1_pInt, 'from file' flush(6) - call IO_read_realFile(777,'F',& - trim(getSolverJobName()),size(F)) + call IO_read_realFile(777,'F',trim(getSolverJobName()),size(F)) read (777,rec=1) F close (777) - call IO_read_realFile(777,'F_lastInc',& - trim(getSolverJobName()),size(F_lastInc)) + call IO_read_realFile(777,'F_lastInc',trim(getSolverJobName()),size(F_lastInc)) read (777,rec=1) F_lastInc close (777) - call IO_read_realFile(777,'F_lastInc2',& - trim(getSolverJobName()),size(F_lastInc2)) + call IO_read_realFile(777,'F_lastInc2',trim(getSolverJobName()),size(F_lastInc2)) read (777,rec=1) F_lastInc2 close (777) F_aim = reshape(sum(sum(sum(F,dim=4),dim=3),dim=2) * wgt, [3,3]) ! average of F diff --git a/code/DAMASK_spectral_solverPolarisation.f90 b/code/DAMASK_spectral_solverPolarisation.f90 index 879519e76..109ab37d1 100644 --- a/code/DAMASK_spectral_solverPolarisation.f90 +++ b/code/DAMASK_spectral_solverPolarisation.f90 @@ -216,22 +216,18 @@ subroutine Polarisation_init(temperature) write(6,'(/,a,'//IO_intOut(restartInc-1_pInt)//',a)') & 'reading values of increment', restartInc - 1_pInt, 'from file' flush(6) - call IO_read_realFile(777,'F',& - trim(getSolverJobName()),size(F)) + call IO_read_realFile(777,'F',trim(getSolverJobName()),size(F)) read (777,rec=1) F close (777) - call IO_read_realFile(777,'F_lastInc',& - trim(getSolverJobName()),size(F_lastInc)) + call IO_read_realFile(777,'F_lastInc',trim(getSolverJobName()),size(F_lastInc)) read (777,rec=1) F_lastInc close (777) - call IO_read_realFile(777,'F_lastInc2',& - trim(getSolverJobName()),size(F_lastInc2)) + call IO_read_realFile(777,'F_lastInc2',trim(getSolverJobName()),size(F_lastInc2)) read (777,rec=1) F_lastInc2 close (777) 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 - call IO_read_realFile(777,'F_tau',& - trim(getSolverJobName()),size(F_tau)) + call IO_read_realFile(777,'F_tau',trim(getSolverJobName()),size(F_tau)) read (777,rec=1) F_tau close (777) 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 write (777,rec=1) F_lastInc 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 write (777,rec=1) F_tau close (777) diff --git a/lib/damask/test/test.py b/lib/damask/test/test.py index 4fc4c58a6..5d7c5f354 100644 --- a/lib/damask/test/test.py +++ b/lib/damask/test/test.py @@ -159,7 +159,7 @@ class Test(): try: shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i])) except: - print('Reference2Current: Unable to copy file ', file) + print('Reference2Current: Unable to copy file %s'%file) def copy_Base2Current(self,sourceDir,sourcefiles=[],targetfiles=[]): @@ -170,7 +170,7 @@ class Test(): shutil.copy2(os.path.join(source,file),self.fileInCurrent(targetfiles[i])) except: 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=[]): @@ -179,7 +179,7 @@ class Test(): try: shutil.copy2(self.fileInCurrent(file),self.fileInReference(targetfiles[i])) except: - print('Current2Reference: Unable to copy file ', file) + print('Current2Reference: Unable to copy file %s'%file) def copy_Proof2Current(self,sourcefiles=[],targetfiles=[]): @@ -188,7 +188,7 @@ class Test(): try: shutil.copy2(self.fileInProof(file),self.fileInCurrent(targetfiles[i])) except: - print('Proof2Current: Unable to copy file ', file) + print('Proof2Current: Unable to copy file %s'%file) def copy_Current2Current(self,sourcefiles=[],targetfiles=[]): @@ -196,7 +196,7 @@ class Test(): try: shutil.copy2(self.fileInReference(file),self.fileInCurrent(targetfiles[i])) 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'): @@ -210,7 +210,7 @@ class Test(): def compare_Array(self,File1,File2): import numpy - print('comparing\n ' , File1,'\n ', File2) + print('comparing\n '+File1+'\n '+File2) refFile = open(File1) table = damask.ASCIItable(refFile) table.head_read() @@ -224,7 +224,8 @@ class Test(): max_loc=numpy.argmax(abs(refArrayNonZero[curArray.nonzero()]/curArray[curArray.nonzero()]-1.)) refArrayNonZero = refArrayNonZero[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 else: raise Exception('mismatch in array size to compare') @@ -246,7 +247,7 @@ class Test(): absoluteTolerance=False,perLine=False,skipLines=[]): import numpy - print('comparing ASCII Tables\n' , file0,'\n', file1) + print('comparing ASCII Tables\n' + file0 + '\n' + file1) if normHeadings == '': normHeadings = headings0 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): myData = numpy.array(map(float,table1.data[column[1][i]:\ 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 if (line0 != line1): raise Exception('found ', line0, ' lines in 1. table and ', line1, ' in 2. table') @@ -338,9 +340,9 @@ class Test(): print(' ********') for i in xrange(dataLength): 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: - 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(' ********') return maxError