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fixed a potential memory leak for hexagonal structures. added some status output to constitutive_xx

This commit is contained in:
Philip Eisenlohr 2009-10-15 20:02:52 +00:00
parent 5adcb5e36c
commit 974116808b
5 changed files with 73 additions and 53 deletions
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4
code/IO.f90
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@ -1056,6 +1056,10 @@ endfunction
msg = 'Convergence not reached' msg = 'Convergence not reached'
case (610) case (610)
msg = 'Stress loop not converged' msg = 'Stress loop not converged'
case (666)
msg = 'Memory leak detected'
case (700) case (700)
msg = 'Singular matrix in stress iteration' msg = 'Singular matrix in stress iteration'
case default case default

3
code/constitutive.f90
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@ -55,7 +55,7 @@ subroutine constitutive_init()
integer(pInt), parameter :: fileunit = 200 integer(pInt), parameter :: fileunit = 200
integer(pInt) e,i,g,p,myInstance,myNgrains integer(pInt) e,i,g,p,myInstance,myNgrains
integer(pInt), dimension(:,:), pointer :: thisSize integer(pInt), dimension(:,:), pointer :: thisSize
character(64), dimension(:,:), pointer :: thisOutput character(len=64), dimension(:,:), pointer :: thisOutput
logical knownConstitution logical knownConstitution
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
@ -65,6 +65,7 @@ subroutine constitutive_init()
call constitutive_dislotwin_init(fileunit) call constitutive_dislotwin_init(fileunit)
call constitutive_nonlocal_init(fileunit) call constitutive_nonlocal_init(fileunit)
close(fileunit) close(fileunit)
! write description file for constitutive phase output ! write description file for constitutive phase output

3
code/constitutive_j2.f90
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@ -83,6 +83,9 @@ subroutine constitutive_j2_init(file)
maxNinstance = count(phase_constitution == constitutive_j2_label) maxNinstance = count(phase_constitution == constitutive_j2_label)
if (maxNinstance == 0) return if (maxNinstance == 0) return
write(6,'(a16,x,i5)') '# instances:',maxNinstance
write(6,*)
allocate(constitutive_j2_sizeDotState(maxNinstance)) ; constitutive_j2_sizeDotState = 0_pInt allocate(constitutive_j2_sizeDotState(maxNinstance)) ; constitutive_j2_sizeDotState = 0_pInt
allocate(constitutive_j2_sizeState(maxNinstance)) ; constitutive_j2_sizeState = 0_pInt allocate(constitutive_j2_sizeState(maxNinstance)) ; constitutive_j2_sizeState = 0_pInt
allocate(constitutive_j2_sizePostResults(maxNinstance)); constitutive_j2_sizePostResults = 0_pInt allocate(constitutive_j2_sizePostResults(maxNinstance)); constitutive_j2_sizePostResults = 0_pInt

97
code/constitutive_phenopowerlaw.f90
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@ -145,11 +145,13 @@ subroutine constitutive_phenopowerlaw_init(file)
write(6,'(a20,a20,a12)') '<<<+- constitutive_',constitutive_phenopowerlaw_label,' init -+>>>' write(6,'(a20,a20,a12)') '<<<+- constitutive_',constitutive_phenopowerlaw_label,' init -+>>>'
write(6,*) '$Id$' write(6,*) '$Id$'
write(6,*) write(6,*)
maxNinstance = count(phase_constitution == constitutive_phenopowerlaw_label) maxNinstance = count(phase_constitution == constitutive_phenopowerlaw_label)
if (maxNinstance == 0) return if (maxNinstance == 0) return
write(6,'(a16,x,i5)') '# instances:',maxNinstance
write(6,*)
allocate(constitutive_phenopowerlaw_sizeDotState(maxNinstance)) ; constitutive_phenopowerlaw_sizeDotState = 0_pInt allocate(constitutive_phenopowerlaw_sizeDotState(maxNinstance)) ; constitutive_phenopowerlaw_sizeDotState = 0_pInt
allocate(constitutive_phenopowerlaw_sizeState(maxNinstance)) ; constitutive_phenopowerlaw_sizeState = 0_pInt allocate(constitutive_phenopowerlaw_sizeState(maxNinstance)) ; constitutive_phenopowerlaw_sizeState = 0_pInt
allocate(constitutive_phenopowerlaw_sizePostResults(maxNinstance)); constitutive_phenopowerlaw_sizePostResults = 0_pInt allocate(constitutive_phenopowerlaw_sizePostResults(maxNinstance)); constitutive_phenopowerlaw_sizePostResults = 0_pInt
@ -217,6 +219,7 @@ subroutine constitutive_phenopowerlaw_init(file)
rewind(file) rewind(file)
line = '' line = ''
section = 0 section = 0
do while (IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to <phase> do while (IO_lc(IO_getTag(line,'<','>')) /= 'phase') ! wind forward to <phase>
read(file,'(a1024)',END=100) line read(file,'(a1024)',END=100) line
enddo enddo
@ -308,6 +311,7 @@ subroutine constitutive_phenopowerlaw_init(file)
enddo enddo
100 do i = 1,maxNinstance 100 do i = 1,maxNinstance
constitutive_phenopowerlaw_structure(i) = lattice_initializeStructure(constitutive_phenopowerlaw_structureName(i), & ! get structure constitutive_phenopowerlaw_structure(i) = lattice_initializeStructure(constitutive_phenopowerlaw_structureName(i), & ! get structure
constitutive_phenopowerlaw_CoverA(i)) constitutive_phenopowerlaw_CoverA(i))
constitutive_phenopowerlaw_Nslip(:,i) = min(lattice_NslipSystem(:,constitutive_phenopowerlaw_structure(i)),& ! limit active slip systems per family to max constitutive_phenopowerlaw_Nslip(:,i) = min(lattice_NslipSystem(:,constitutive_phenopowerlaw_structure(i)),& ! limit active slip systems per family to max
@ -352,33 +356,34 @@ subroutine constitutive_phenopowerlaw_init(file)
constitutive_phenopowerlaw_hardeningMatrix_sliptwin = 0.0_pReal constitutive_phenopowerlaw_hardeningMatrix_sliptwin = 0.0_pReal
constitutive_phenopowerlaw_hardeningMatrix_twinslip = 0.0_pReal constitutive_phenopowerlaw_hardeningMatrix_twinslip = 0.0_pReal
constitutive_phenopowerlaw_hardeningMatrix_twintwin = 0.0_pReal constitutive_phenopowerlaw_hardeningMatrix_twintwin = 0.0_pReal
do i = 1,maxNinstance do i = 1,maxNinstance
do j = 1,maxval(phase_Noutput) do j = 1,maxval(phase_Noutput)
select case(constitutive_phenopowerlaw_output(j,i)) select case(constitutive_phenopowerlaw_output(j,i))
case('resistance_slip', & case('resistance_slip', &
'shearrate_slip', & 'shearrate_slip', &
'resolvedstress_slip' & 'resolvedstress_slip' &
) )
mySize = constitutive_phenopowerlaw_totalNslip(i) mySize = constitutive_phenopowerlaw_totalNslip(i)
case('resistance_twin', & case('resistance_twin', &
'shearrate_twin', & 'shearrate_twin', &
'resolvedstress_twin' & 'resolvedstress_twin' &
) )
mySize = constitutive_phenopowerlaw_totalNtwin(i) mySize = constitutive_phenopowerlaw_totalNtwin(i)
case('totalshear', & case('totalshear', &
'totalvolfrac' & 'totalvolfrac' &
) )
mySize = 1_pInt mySize = 1_pInt
case default case default
mySize = 0_pInt mySize = 0_pInt
end select end select
if (mySize > 0_pInt) then ! any meaningful output found if (mySize > 0_pInt) then ! any meaningful output found
constitutive_phenopowerlaw_sizePostResult(j,i) = mySize constitutive_phenopowerlaw_sizePostResult(j,i) = mySize
constitutive_phenopowerlaw_sizePostResults(i) = & constitutive_phenopowerlaw_sizePostResults(i) = &
constitutive_phenopowerlaw_sizePostResults(i) + mySize constitutive_phenopowerlaw_sizePostResults(i) + mySize
endif endif
enddo enddo
constitutive_phenopowerlaw_sizeDotState(i) = constitutive_phenopowerlaw_totalNslip(i)+ & constitutive_phenopowerlaw_sizeDotState(i) = constitutive_phenopowerlaw_totalNslip(i)+ &
@ -387,27 +392,27 @@ subroutine constitutive_phenopowerlaw_init(file)
constitutive_phenopowerlaw_totalNtwin(i)+ 2 ! s_slip, s_twin, sum(gamma), sum(f) constitutive_phenopowerlaw_totalNtwin(i)+ 2 ! s_slip, s_twin, sum(gamma), sum(f)
select case (constitutive_phenopowerlaw_structure(i)) ! assign elasticity tensor select case (constitutive_phenopowerlaw_structure(i)) ! assign elasticity tensor
case(1:2) ! cubic(s) case(1:2) ! cubic(s)
forall(k=1:3) forall(k=1:3)
forall(j=1:3) & forall(j=1:3) &
constitutive_phenopowerlaw_Cslip_66(k,j,i) = constitutive_phenopowerlaw_C12(i) constitutive_phenopowerlaw_Cslip_66(k,j,i) = constitutive_phenopowerlaw_C12(i)
constitutive_phenopowerlaw_Cslip_66(k,k,i) = constitutive_phenopowerlaw_C11(i) constitutive_phenopowerlaw_Cslip_66(k,k,i) = constitutive_phenopowerlaw_C11(i)
constitutive_phenopowerlaw_Cslip_66(k+3,k+3,i) = constitutive_phenopowerlaw_C44(i) constitutive_phenopowerlaw_Cslip_66(k+3,k+3,i) = constitutive_phenopowerlaw_C44(i)
end forall end forall
case(3) ! hex case(3) ! hex
constitutive_phenopowerlaw_Cslip_66(1,1,i) = constitutive_phenopowerlaw_C11(i) constitutive_phenopowerlaw_Cslip_66(1,1,i) = constitutive_phenopowerlaw_C11(i)
constitutive_phenopowerlaw_Cslip_66(2,2,i) = constitutive_phenopowerlaw_C11(i) constitutive_phenopowerlaw_Cslip_66(2,2,i) = constitutive_phenopowerlaw_C11(i)
constitutive_phenopowerlaw_Cslip_66(3,3,i) = constitutive_phenopowerlaw_C33(i) constitutive_phenopowerlaw_Cslip_66(3,3,i) = constitutive_phenopowerlaw_C33(i)
constitutive_phenopowerlaw_Cslip_66(1,2,i) = constitutive_phenopowerlaw_C12(i) constitutive_phenopowerlaw_Cslip_66(1,2,i) = constitutive_phenopowerlaw_C12(i)
constitutive_phenopowerlaw_Cslip_66(2,1,i) = constitutive_phenopowerlaw_C12(i) constitutive_phenopowerlaw_Cslip_66(2,1,i) = constitutive_phenopowerlaw_C12(i)
constitutive_phenopowerlaw_Cslip_66(1,3,i) = constitutive_phenopowerlaw_C13(i) constitutive_phenopowerlaw_Cslip_66(1,3,i) = constitutive_phenopowerlaw_C13(i)
constitutive_phenopowerlaw_Cslip_66(3,1,i) = constitutive_phenopowerlaw_C13(i) constitutive_phenopowerlaw_Cslip_66(3,1,i) = constitutive_phenopowerlaw_C13(i)
constitutive_phenopowerlaw_Cslip_66(2,3,i) = constitutive_phenopowerlaw_C13(i) constitutive_phenopowerlaw_Cslip_66(2,3,i) = constitutive_phenopowerlaw_C13(i)
constitutive_phenopowerlaw_Cslip_66(3,2,i) = constitutive_phenopowerlaw_C13(i) constitutive_phenopowerlaw_Cslip_66(3,2,i) = constitutive_phenopowerlaw_C13(i)
constitutive_phenopowerlaw_Cslip_66(4,4,i) = constitutive_phenopowerlaw_C44(i) constitutive_phenopowerlaw_Cslip_66(4,4,i) = constitutive_phenopowerlaw_C44(i)
constitutive_phenopowerlaw_Cslip_66(5,5,i) = constitutive_phenopowerlaw_C44(i) constitutive_phenopowerlaw_Cslip_66(5,5,i) = constitutive_phenopowerlaw_C44(i)
constitutive_phenopowerlaw_Cslip_66(6,6,i) = 0.5_pReal*(constitutive_phenopowerlaw_C11(i)- & constitutive_phenopowerlaw_Cslip_66(6,6,i) = 0.5_pReal*(constitutive_phenopowerlaw_C11(i)- &
constitutive_phenopowerlaw_C12(i)) constitutive_phenopowerlaw_C12(i))
end select end select
constitutive_phenopowerlaw_Cslip_66(:,:,i) = & constitutive_phenopowerlaw_Cslip_66(:,:,i) = &
math_Mandel3333to66(math_Voigt66to3333(constitutive_phenopowerlaw_Cslip_66(:,:,i))) math_Mandel3333to66(math_Voigt66to3333(constitutive_phenopowerlaw_Cslip_66(:,:,i)))

19
code/lattice.f90
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@ -29,7 +29,7 @@ integer(pInt), parameter :: lattice_maxNinteraction = 20 ! max # of int
integer(pInt), pointer, dimension(:,:) :: interactionSlipSlip, & integer(pInt), pointer, dimension(:,:) :: interactionSlipSlip, &
interactionSlipTwin, & interactionSlipTwin, &
interactionTwinSlip, & interactionTwinSlip, &
interactionTwinTwin interactionTwinTwin
! Schmid matrices, normal, shear direction and d x n of slip systems ! Schmid matrices, normal, shear direction and d x n of slip systems
real(pReal), allocatable, dimension(:,:,:,:) :: lattice_Sslip real(pReal), allocatable, dimension(:,:,:,:) :: lattice_Sslip
@ -666,10 +666,14 @@ 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 ! lattice_Nstructure = Nsections + 2_pInt ! most conservative assumption
close(fileunit) close(fileunit)
write(6,'(a16,x,i5)') '# sections:',Nsections
write(6,'(a16,x,i5)') '# structures:',lattice_Nstructure
write(6,*)
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
@ -703,6 +707,7 @@ function lattice_initializeStructure(struct,CoverA)
!************************************** !**************************************
use prec, only: pReal,pInt use prec, only: pReal,pInt
use math use math
use IO, only: IO_error
implicit none implicit none
character(len=*) struct character(len=*) struct
@ -818,17 +823,19 @@ function lattice_initializeStructure(struct,CoverA)
interactionTwinSlip => lattice_hex_interactionTwinSlip interactionTwinSlip => lattice_hex_interactionTwinSlip
interactionTwinTwin => lattice_hex_interactionTwinTwin interactionTwinTwin => lattice_hex_interactionTwinTwin
endif endif
end select end select
if (processMe) then if (processMe) then
do i = 1,myNslip ! store slip system vectors and Schmid matrix for my structure if (myStructure > lattice_Nstructure) &
call IO_error(666,0,0,0,'structure index too large') ! check for memory leakage
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 ! store twin system vectors and Schmid plus rotation matrix for my structure 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)