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DAMASK_EICMD
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makeMe: some polishment 

lattice: found memory leak (lattice_interactionTwinSlip had wrong size) and added further commenting
This commit is contained in:
Philip Eisenlohr 2009-08-26 07:28:43 +00:00
parent 1dbd0865db
commit 7720680f3a
2 changed files with 106 additions and 48 deletions
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135
code/lattice.f90
View File

@ -359,7 +359,59 @@ integer(pInt), allocatable, dimension(:,:,:) :: lattice_interactionSlipSlip, &
0,0,0,0,0,0,0,0,0,0,0,0 & 0,0,0,0,0,0,0,0,0,0,0,0 &
/),(/lattice_bcc_Ntwin,lattice_bcc_Ntwin/)) /),(/lattice_bcc_Ntwin,lattice_bcc_Ntwin/))
integer(pInt), target, dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip) :: lattice_bcc_interactionTwinSlip = 0 !*** Twin-slip interactions for BCC structures (2) ***
! MISSING: not implemented yet
integer(pInt), target, dimension(lattice_bcc_Ntwin,lattice_bcc_Nslip) :: lattice_bcc_interactionTwinSlip = &
reshape((/&
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0, &
0,0,0,0,0,0,0,0,0,0,0,0 &
/),(/lattice_bcc_Ntwin,lattice_bcc_Ntwin/))
@ -606,21 +658,22 @@ subroutine lattice_init()
if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
Nsections = IO_countSections(fileunit,material_partPhase) Nsections = IO_countSections(fileunit,material_partPhase)
lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(fileunit,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex ! lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(fileunit,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex
lattice_Nstructure = Nsections ! most conservative assumption
close(fileunit) close(fileunit)
allocate(lattice_Sslip(3,3,lattice_maxNslip,lattice_Nstructure)); lattice_Sslip = 0.0_pReal allocate(lattice_Sslip(3,3,lattice_maxNslip,lattice_Nstructure)); lattice_Sslip = 0.0_pReal
allocate(lattice_Sslip_v(6,lattice_maxNslip,lattice_Nstructure)); lattice_Sslip_v = 0.0_pReal allocate(lattice_Sslip_v(6,lattice_maxNslip,lattice_Nstructure)); lattice_Sslip_v = 0.0_pReal
allocate(lattice_sd(3,lattice_maxNslip,lattice_Nstructure)); lattice_sd = 0.0_pReal allocate(lattice_sd(3,lattice_maxNslip,lattice_Nstructure)); lattice_sd = 0.0_pReal
allocate(lattice_st(3,lattice_maxNslip,lattice_Nstructure)); lattice_st = 0.0_pReal allocate(lattice_st(3,lattice_maxNslip,lattice_Nstructure)); lattice_st = 0.0_pReal
allocate(lattice_sn(3,lattice_maxNslip,lattice_Nstructure)); lattice_sn = 0.0_pReal allocate(lattice_sn(3,lattice_maxNslip,lattice_Nstructure)); lattice_sn = 0.0_pReal
allocate(lattice_Qtwin(3,3,lattice_maxNtwin,lattice_Nstructure)); lattice_Qtwin = 0.0_pReal allocate(lattice_Qtwin(3,3,lattice_maxNtwin,lattice_Nstructure)); lattice_Qtwin = 0.0_pReal
allocate(lattice_Stwin(3,3,lattice_maxNtwin,lattice_Nstructure)); lattice_Stwin = 0.0_pReal allocate(lattice_Stwin(3,3,lattice_maxNtwin,lattice_Nstructure)); lattice_Stwin = 0.0_pReal
allocate(lattice_Stwin_v(6,lattice_maxNtwin,lattice_Nstructure)); lattice_Stwin_v = 0.0_pReal allocate(lattice_Stwin_v(6,lattice_maxNtwin,lattice_Nstructure)); lattice_Stwin_v = 0.0_pReal
allocate(lattice_td(3,lattice_maxNtwin,lattice_Nstructure)); lattice_td = 0.0_pReal allocate(lattice_td(3,lattice_maxNtwin,lattice_Nstructure)); lattice_td = 0.0_pReal
allocate(lattice_tt(3,lattice_maxNtwin,lattice_Nstructure)); lattice_tt = 0.0_pReal allocate(lattice_tt(3,lattice_maxNtwin,lattice_Nstructure)); lattice_tt = 0.0_pReal
allocate(lattice_tn(3,lattice_maxNtwin,lattice_Nstructure)); lattice_tn = 0.0_pReal allocate(lattice_tn(3,lattice_maxNtwin,lattice_Nstructure)); lattice_tn = 0.0_pReal
allocate(lattice_shearTwin(lattice_maxNtwin,lattice_Nstructure)); lattice_shearTwin = 0.0_pReal allocate(lattice_shearTwin(lattice_maxNtwin,lattice_Nstructure)); lattice_shearTwin = 0.0_pReal
@ -629,8 +682,8 @@ subroutine lattice_init()
allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,lattice_Nstructure)); lattice_interactionSlipSlip = 0_pInt allocate(lattice_interactionSlipSlip(lattice_maxNslip,lattice_maxNslip,lattice_Nstructure)); lattice_interactionSlipSlip = 0_pInt
allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,lattice_Nstructure)); lattice_interactionSlipTwin = 0_pInt allocate(lattice_interactionSlipTwin(lattice_maxNslip,lattice_maxNtwin,lattice_Nstructure)); lattice_interactionSlipTwin = 0_pInt
allocate(lattice_interactionTwinSlip(lattice_maxNtwin,lattice_maxNslip,lattice_Nstructure)); lattice_interactionTwinSlip = 0_pInt
allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,lattice_Nstructure)); lattice_interactionTwinTwin = 0_pInt allocate(lattice_interactionTwinTwin(lattice_maxNtwin,lattice_maxNtwin,lattice_Nstructure)); lattice_interactionTwinTwin = 0_pInt
allocate(lattice_interactionTwinSlip(lattice_maxNtwin,lattice_maxNtwin,lattice_Nstructure)); lattice_interactionTwinSlip = 0_pInt
end subroutine end subroutine
@ -667,19 +720,19 @@ function lattice_initializeStructure(struct,CoverA)
select case(struct(1:3)) ! check first three chars of structure name select case(struct(1:3)) ! check first three chars of structure name
case ('fcc') case ('fcc')
myStructure = 1_pInt myStructure = 1_pInt
myNslipSystem = lattice_fcc_NslipSystem myNslipSystem = lattice_fcc_NslipSystem ! size of slip system families
myNtwinSystem = lattice_fcc_NtwinSystem myNtwinSystem = lattice_fcc_NtwinSystem ! size of twin system families
myNslip = lattice_fcc_Nslip myNslip = lattice_fcc_Nslip ! overall number of slip systems
myNtwin = lattice_fcc_Ntwin myNtwin = lattice_fcc_Ntwin ! overall number of twin systems
lattice_fcc_Nstructure = lattice_fcc_Nstructure + 1_pInt lattice_fcc_Nstructure = lattice_fcc_Nstructure + 1_pInt ! count fcc instances
if (lattice_fcc_Nstructure == 1_pInt) then if (lattice_fcc_Nstructure == 1_pInt) then ! me is first fcc structure
processMe = .true. processMe = .true.
do i = 1,myNslip do i = 1,myNslip ! calculate slip system vectors
sd(:,i) = lattice_fcc_systemSlip(1:3,i)/dsqrt(math_mul3x3(lattice_fcc_systemSlip(1:3,i),lattice_fcc_systemSlip(1:3,i))) sd(:,i) = lattice_fcc_systemSlip(1:3,i)/dsqrt(math_mul3x3(lattice_fcc_systemSlip(1:3,i),lattice_fcc_systemSlip(1:3,i)))
sn(:,i) = lattice_fcc_systemSlip(4:6,i)/dsqrt(math_mul3x3(lattice_fcc_systemSlip(4:6,i),lattice_fcc_systemSlip(4:6,i))) sn(:,i) = lattice_fcc_systemSlip(4:6,i)/dsqrt(math_mul3x3(lattice_fcc_systemSlip(4:6,i),lattice_fcc_systemSlip(4:6,i)))
st(:,i) = math_vectorproduct(sd(:,i),sn(:,i)) st(:,i) = math_vectorproduct(sd(:,i),sn(:,i))
enddo enddo
do i = 1,myNtwin do i = 1,myNtwin ! calculate twin system vectors and (assign) shears
td(:,i) = lattice_fcc_systemTwin(1:3,i)/dsqrt(math_mul3x3(lattice_fcc_systemTwin(1:3,i),lattice_fcc_systemTwin(1:3,i))) td(:,i) = lattice_fcc_systemTwin(1:3,i)/dsqrt(math_mul3x3(lattice_fcc_systemTwin(1:3,i),lattice_fcc_systemTwin(1:3,i)))
tn(:,i) = lattice_fcc_systemTwin(4:6,i)/dsqrt(math_mul3x3(lattice_fcc_systemTwin(4:6,i),lattice_fcc_systemTwin(4:6,i))) tn(:,i) = lattice_fcc_systemTwin(4:6,i)/dsqrt(math_mul3x3(lattice_fcc_systemTwin(4:6,i),lattice_fcc_systemTwin(4:6,i)))
tt(:,i) = math_vectorproduct(td(:,i),tn(:,i)) tt(:,i) = math_vectorproduct(td(:,i),tn(:,i))
@ -687,25 +740,25 @@ function lattice_initializeStructure(struct,CoverA)
enddo enddo
interactionSlipSlip => lattice_fcc_interactionSlipSlip interactionSlipSlip => lattice_fcc_interactionSlipSlip
interactionSlipTwin => lattice_fcc_interactionSlipTwin interactionSlipTwin => lattice_fcc_interactionSlipTwin
interactionTwinTwin => lattice_fcc_interactionTwinTwin
interactionTwinSlip => lattice_fcc_interactionTwinSlip interactionTwinSlip => lattice_fcc_interactionTwinSlip
interactionTwinTwin => lattice_fcc_interactionTwinTwin
endif endif
case ('bcc') case ('bcc')
myStructure = 2_pInt myStructure = 2_pInt
myNslipSystem = lattice_bcc_NslipSystem myNslipSystem = lattice_bcc_NslipSystem ! size of slip system families
myNtwinSystem = lattice_bcc_NtwinSystem myNtwinSystem = lattice_bcc_NtwinSystem ! size of twin system families
myNslip = lattice_bcc_Nslip myNslip = lattice_bcc_Nslip ! overall number of slip systems
myNtwin = lattice_bcc_Ntwin myNtwin = lattice_bcc_Ntwin ! overall number of twin systems
lattice_bcc_Nstructure = lattice_bcc_Nstructure + 1_pInt lattice_bcc_Nstructure = lattice_bcc_Nstructure + 1_pInt ! count bcc instances
if (lattice_bcc_Nstructure == 1_pInt) then if (lattice_bcc_Nstructure == 1_pInt) then ! me is first bcc structure
processMe = .true. processMe = .true.
do i = 1,myNslip do i = 1,myNslip ! calculate slip system vectors
sd(:,i) = lattice_bcc_systemSlip(1:3,i)/dsqrt(math_mul3x3(lattice_bcc_systemSlip(1:3,i),lattice_bcc_systemSlip(1:3,i))) sd(:,i) = lattice_bcc_systemSlip(1:3,i)/dsqrt(math_mul3x3(lattice_bcc_systemSlip(1:3,i),lattice_bcc_systemSlip(1:3,i)))
sn(:,i) = lattice_bcc_systemSlip(4:6,i)/dsqrt(math_mul3x3(lattice_bcc_systemSlip(4:6,i),lattice_bcc_systemSlip(4:6,i))) sn(:,i) = lattice_bcc_systemSlip(4:6,i)/dsqrt(math_mul3x3(lattice_bcc_systemSlip(4:6,i),lattice_bcc_systemSlip(4:6,i)))
st(:,i) = math_vectorproduct(sd(:,i),sn(:,i)) st(:,i) = math_vectorproduct(sd(:,i),sn(:,i))
enddo enddo
do i = 1,myNtwin do i = 1,myNtwin ! calculate twin system vectors and (assign) shears
td(:,i) = lattice_bcc_systemTwin(1:3,i)/dsqrt(math_mul3x3(lattice_bcc_systemTwin(1:3,i),lattice_bcc_systemTwin(1:3,i))) td(:,i) = lattice_bcc_systemTwin(1:3,i)/dsqrt(math_mul3x3(lattice_bcc_systemTwin(1:3,i),lattice_bcc_systemTwin(1:3,i)))
tn(:,i) = lattice_bcc_systemTwin(4:6,i)/dsqrt(math_mul3x3(lattice_bcc_systemTwin(4:6,i),lattice_bcc_systemTwin(4:6,i))) tn(:,i) = lattice_bcc_systemTwin(4:6,i)/dsqrt(math_mul3x3(lattice_bcc_systemTwin(4:6,i),lattice_bcc_systemTwin(4:6,i)))
tt(:,i) = math_vectorproduct(td(:,i),tn(:,i)) tt(:,i) = math_vectorproduct(td(:,i),tn(:,i))
@ -713,18 +766,18 @@ function lattice_initializeStructure(struct,CoverA)
enddo enddo
interactionSlipSlip => lattice_bcc_interactionSlipSlip interactionSlipSlip => lattice_bcc_interactionSlipSlip
interactionSlipTwin => lattice_bcc_interactionSlipTwin interactionSlipTwin => lattice_bcc_interactionSlipTwin
interactionTwinTwin => lattice_bcc_interactionTwinTwin
interactionTwinSlip => lattice_bcc_interactionTwinSlip interactionTwinSlip => lattice_bcc_interactionTwinSlip
interactionTwinTwin => lattice_bcc_interactionTwinTwin
endif endif
case ('hex') case ('hex')
if (CoverA > 0.0_pReal) then if (CoverA >= 1.0_pReal) then ! checking physical significance of c/a
lattice_hex_Nstructure = lattice_hex_Nstructure + 1_pInt lattice_hex_Nstructure = lattice_hex_Nstructure + 1_pInt ! count instances of hex structures
myStructure = 2_pInt + lattice_hex_Nstructure myStructure = 2_pInt + lattice_hex_Nstructure ! 3,4,5,.. for hex
myNslipSystem = lattice_hex_NslipSystem myNslipSystem = lattice_hex_NslipSystem ! size of slip system families
myNtwinSystem = lattice_hex_NtwinSystem myNtwinSystem = lattice_hex_NtwinSystem ! size of twin system families
myNslip = lattice_hex_Nslip myNslip = lattice_hex_Nslip ! overall number of slip systems
myNtwin = lattice_hex_Ntwin myNtwin = lattice_hex_Ntwin ! overall number of twin systems
processMe = .true. processMe = .true.
! converting from 4 axes coordinate system (a1=a2=a3=c) to ortho-hexgonal system (a, b, c) ! converting from 4 axes coordinate system (a1=a2=a3=c) to ortho-hexgonal system (a, b, c)
do i = 1,myNslip do i = 1,myNslip
@ -754,20 +807,20 @@ function lattice_initializeStructure(struct,CoverA)
enddo enddo
interactionSlipSlip => lattice_hex_interactionSlipSlip interactionSlipSlip => lattice_hex_interactionSlipSlip
interactionSlipTwin => lattice_hex_interactionSlipTwin interactionSlipTwin => lattice_hex_interactionSlipTwin
interactionTwinTwin => lattice_hex_interactionTwinTwin
interactionTwinSlip => lattice_hex_interactionTwinSlip interactionTwinSlip => lattice_hex_interactionTwinSlip
interactionTwinTwin => lattice_hex_interactionTwinTwin
endif endif
end select end select
if (processMe) then if (processMe) then
do i = 1,myNslip do i = 1,myNslip ! store slip system vectors and Schmid matrix for my structure
lattice_sd(:,i,myStructure) = sd(:,i) lattice_sd(:,i,myStructure) = sd(:,i)
lattice_st(:,i,myStructure) = st(:,i) lattice_st(:,i,myStructure) = st(:,i)
lattice_sn(:,i,myStructure) = sn(:,i) lattice_sn(:,i,myStructure) = sn(:,i)
lattice_Sslip(:,:,i,myStructure) = math_tensorproduct(sd(:,i),sn(:,i)) lattice_Sslip(:,:,i,myStructure) = math_tensorproduct(sd(:,i),sn(:,i))
lattice_Sslip_v(:,i,myStructure) = math_Mandel33to6(math_symmetric3x3(lattice_Sslip(:,:,i,myStructure))) lattice_Sslip_v(:,i,myStructure) = math_Mandel33to6(math_symmetric3x3(lattice_Sslip(:,:,i,myStructure)))
enddo enddo
do i = 1,myNtwin do i = 1,myNtwin ! store twin system vectors and Schmid plus rotation matrix for my structure
lattice_td(:,i,myStructure) = td(:,i) lattice_td(:,i,myStructure) = td(:,i)
lattice_tt(:,i,myStructure) = tt(:,i) lattice_tt(:,i,myStructure) = tt(:,i)
lattice_tn(:,i,myStructure) = tn(:,i) lattice_tn(:,i,myStructure) = tn(:,i)
@ -784,7 +837,7 @@ function lattice_initializeStructure(struct,CoverA)
lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myStructure) = interactionTwinTwin(1:myNtwin,1:myNtwin) lattice_interactionTwinTwin(1:myNtwin,1:myNtwin,myStructure) = interactionTwinTwin(1:myNtwin,1:myNtwin)
endif endif
lattice_initializeStructure = myStructure lattice_initializeStructure = myStructure ! report my structure index back
end function end function

19
code/makeMe.py
View File

@ -2,25 +2,30 @@
import os,sys import os,sys
sys.argv += ['' for i in range(2 - len(sys.argv))]
architectures = { architectures = {
'marc': { 'marc': {
'parent': 'mpie_cpfem_marc.f90', 'parent': 'mpie_cpfem_marc.f90',
'versions' : ['%%MARCVERSION%%','2007r1','2008r1'], 'versions' : ['%%MARCVERSION%%','2007r1','2008r1'],
'substitutions' : {'%%REVISION%%': sys.argv[1],},
}, },
} }
for arch in architectures: for arch in architectures:
me = architectures[arch]
try: try:
parent = architectures[arch]['parent'] parentFile = open(me['parent'])
parentFile = open(parent)
parentContent = parentFile.readlines() parentContent = parentFile.readlines()
parentFile.close() parentFile.close()
except IOError: except IOError:
print 'unable to open',parent print 'unable to open',me['parent']
continue continue
for version in architectures[arch]['versions'][1:]:
childFile = open(os.path.splitext(parent)[0]+version+os.path.splitext(parent)[1],'w') for version in me['versions'][1:]:
childFile = open(version.join(os.path.splitext(me['parent'])),'w')
for line in parentContent: for line in parentContent:
childFile.write(line.replace(architectures[arch]['versions'][0],version)) for substitution in me['substitutions']:
line = line.replace(substitution,me['substitutions'][substitution])
childFile.write(line.replace(me['versions'][0],version))
childFile.close() childFile.close()