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

code/IO.f90

@@ -1056,6 +1056,10 @@ endfunction
    msg = 'Convergence not reached'
  case (610)
    msg = 'Stress loop not converged'
+
+ case (666)
+   msg = 'Memory leak detected'
+
  case (700)
    msg = 'Singular matrix in stress iteration'
  case default

code/constitutive.f90

@@ -55,7 +55,7 @@ subroutine constitutive_init()
  integer(pInt), parameter :: fileunit = 200
  integer(pInt) e,i,g,p,myInstance,myNgrains
  integer(pInt), dimension(:,:), pointer :: thisSize
- character(64), dimension(:,:), pointer :: thisOutput
+ character(len=64), dimension(:,:), pointer :: thisOutput
  logical knownConstitution
  
  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_nonlocal_init(fileunit)
 
+
  close(fileunit)
 
 ! write description file for constitutive phase output

code/constitutive_j2.f90

@@ -83,6 +83,9 @@ subroutine constitutive_j2_init(file)
  maxNinstance = count(phase_constitution == constitutive_j2_label)
  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_sizeState(maxNinstance)) ;                            constitutive_j2_sizeState = 0_pInt
  allocate(constitutive_j2_sizePostResults(maxNinstance));                       constitutive_j2_sizePostResults = 0_pInt

code/constitutive_phenopowerlaw.f90

@@ -146,10 +146,12 @@ subroutine constitutive_phenopowerlaw_init(file)
  write(6,*) '$Id$'
  write(6,*)
  
- 
  maxNinstance = count(phase_constitution == constitutive_phenopowerlaw_label)
  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_sizeState(maxNinstance)) ;      constitutive_phenopowerlaw_sizeState = 0_pInt
  allocate(constitutive_phenopowerlaw_sizePostResults(maxNinstance)); constitutive_phenopowerlaw_sizePostResults = 0_pInt
@@ -217,6 +219,7 @@ subroutine constitutive_phenopowerlaw_init(file)
  rewind(file)
  line = ''
  section = 0
+ 
  do while (IO_lc(IO_getTag(line,'<','>')) /= 'phase')     ! wind forward to <phase>
    read(file,'(a1024)',END=100) line
  enddo
@@ -308,6 +311,7 @@ subroutine constitutive_phenopowerlaw_init(file)
  enddo
 
 100 do i = 1,maxNinstance
+
    constitutive_phenopowerlaw_structure(i) = lattice_initializeStructure(constitutive_phenopowerlaw_structureName(i), &    ! get structure
                                                                          constitutive_phenopowerlaw_CoverA(i))
    constitutive_phenopowerlaw_Nslip(:,i) = min(lattice_NslipSystem(:,constitutive_phenopowerlaw_structure(i)),&   ! limit active slip systems per family to max
@@ -353,6 +357,7 @@ subroutine constitutive_phenopowerlaw_init(file)
  constitutive_phenopowerlaw_hardeningMatrix_twinslip = 0.0_pReal
  constitutive_phenopowerlaw_hardeningMatrix_twintwin = 0.0_pReal
 
+ 
  do i = 1,maxNinstance
    do j = 1,maxval(phase_Noutput)
      select case(constitutive_phenopowerlaw_output(j,i))

code/lattice.f90

@@ -666,10 +666,14 @@ subroutine lattice_init()
 
  if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
  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 = Nsections                                                                   ! most conservative assumption
+ lattice_Nstructure = 2_pInt + sum(IO_countTagInPart(fileunit,material_partPhase,'covera_ratio',Nsections)) ! fcc + bcc + all hex
+! lattice_Nstructure = Nsections + 2_pInt                                                ! most conservative assumption
  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_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
@@ -703,6 +707,7 @@ function lattice_initializeStructure(struct,CoverA)
 !**************************************
  use prec, only: pReal,pInt
  use math
+ use IO, only: IO_error
  implicit none
 
  character(len=*) struct
@@ -821,6 +826,8 @@ function lattice_initializeStructure(struct,CoverA)
  end select
 
  if (processMe) then
+   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_st(:,i,myStructure) = st(:,i)