numerics.config is now optional; if this file does not exist in the working directory, standard values from numerics.f90 are used; either way the output file tells which values were taken.

added some output to the init subroutines of debug.f90, FEsolving.f90, lattice.f90, material.f90 and mesh.f90.

trunk/FEsolving.f90

@@ -32,6 +32,10 @@
  integer(pInt), dimension(1+2*maxNchunks) :: positions
  character(len=1024) line
 
+ write(6,*)
+ write(6,*) '<<<+-  FEsolving init  -+>>>'
+ write(6,*)
+ 
  if (IO_open_inputFile(fileunit)) then
  
    rewind(fileunit)

trunk/debug.f90

@@ -26,6 +26,10 @@ subroutine debug_init()
                       nCryst
   implicit none
   
+  write(6,*)
+  write(6,*) '<<<+-  debug init  -+>>>'
+  write(6,*)
+ 
   allocate(debug_StressLoopDistribution(nStress)) ;        debug_StressLoopDistribution = 0_pInt
   allocate(debug_StateLoopDistribution(nState)) ;          debug_StateLoopDistribution = 0_pInt
   allocate(debug_StiffnessStateLoopDistribution(nState)) ; debug_StiffnessStateLoopDistribution = 0_pInt

trunk/lattice.f90

@@ -592,6 +592,10 @@ subroutine lattice_init()
   integer(pInt), parameter :: fileunit = 200
   integer(pInt) i,Nsections
 
+  write(6,*)
+  write(6,*) '<<<+-  lattice init  -+>>>'
+  write(6,*)
+  
   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

trunk/material.f90

@@ -73,6 +73,10 @@ subroutine material_init()
  integer(pInt), parameter :: fileunit = 200
  integer(pInt) i
  
+ write(6,*)
+ write(6,*) '<<<+-  material init  -+>>>'
+ write(6,*)
+  
  if(.not. IO_open_file(fileunit,material_configFile)) call IO_error (100) ! corrupt config file
  call material_parseHomogenization(fileunit,material_partHomogenization)
  call material_parseMicrostructure(fileunit,material_partMicrostructure)

trunk/mesh.f90

@@ -192,6 +192,10 @@
  integer(pInt), parameter :: fileUnit = 222
  integer(pInt) e
  
+ write(6,*)
+ write(6,*) '<<<+-  mesh init  -+>>>'
+ write(6,*)
+
  mesh_Nelems          = 0_pInt
  mesh_NcpElems        = 0_pInt
  mesh_Nnodes          = 0_pInt

trunk/numerics.config

@@ -1,18 +1,20 @@
 
-relevantStrain			1.0e-7
+### numerical parameters ###
-iJacoStiffness			1
-iJacoLpresiduum			1
-pert_Fg				1.0e-6
-nHomog				10
-nCryst				20
-nState				10
-nStress				40
-subStepMin			1.0e-3
-rTol_crystalliteState		1.0e-6
-rTol_crystalliteStress		1.0e-6
-aTol_crystalliteStress		1.0e-8
 
-resToler			1.0e-4
+relevantStrain            1.0e-7      # strain increment considered significant
-resAbsol			1.0e+2
+iJacoStiffness            1           # frequency of stiffness update
-resBound			1.0e+1
+iJacoLpresiduum           1           # frequency of Jacobian update of residuum in Lp
-NRiterMax			24
+pert_Fg                   1.0e-6      # strain perturbation for FEM Jacobi
+nHomog                    10          # homogenization loop limit
+nCryst                    20          # crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
+nState                    10          # state loop limit
+nStress                   40          # stress loop limit
+subStepMin                1.0e-3      # minimum (relative) size of sub-step allowed during cutback in crystallite
+rTol_crystalliteState     1.0e-6      # relative tolerance in crystallite state loop 
+rTol_crystalliteStress    1.0e-6      # relative tolerance in crystallite stress loop
+aTol_crystalliteStress    1.0e-8      # absolute tolerance in crystallite stress loop
+
+resToler                  1.0e-4      # relative tolerance of residual in GIA iteration
+resAbsol                  1.0e+2      # absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa)
+resBound                  1.0e+1      # relative maximum value (upper bound) for GIA residual
+NRiterMax                 24          # maximum number of GIA iteration

trunk/numerics.f90

@@ -74,71 +74,105 @@ subroutine numerics_init()
   ! resBound
   ! NRiterMax
   
-  ! initialize all values to zero
+  write(6,*)
-  relevantStrain          = 0.0_pReal
+  write(6,*) '<<<+-  numerics init  -+>>>'
-  iJacoStiffness          = 0_pInt
+  write(6,*)
-  iJacoLpresiduum         = 0_pInt
-  pert_Fg                 = 0.0_pReal
-  nHomog                  = 0_pInt
-  nCryst                  = 0_pInt
-  nState                  = 0_pInt
-  nStress                 = 0_pInt
-  subStepMin              = 0.0_pReal
-  rTol_crystalliteState   = 0.0_pReal
-  rTol_crystalliteStress  = 0.0_pReal
-  aTol_crystalliteStress  = 0.0_pReal
-  resToler                = 0.0_pReal
-  resAbsol                = 0.0_pReal
-  resBound                = 0.0_pReal
-  NRiterMax               = 0_pInt
   
-  ! try to open the config file and call error if corrupt
+  ! initialize all parameters with standard values
-  if(.not. IO_open_file(fileunit,numerics_configFile)) call IO_error (100)
+  relevantStrain          = 1.0e-7_pReal
+  iJacoStiffness          = 1_pInt
+  iJacoLpresiduum         = 1_pInt
+  pert_Fg                 = 1.0e-6_pReal
+  nHomog                  = 10_pInt
+  nCryst                  = 20_pInt
+  nState                  = 10_pInt
+  nStress                 = 40_pInt
+  subStepMin              = 1.0e-3_pReal
+  rTol_crystalliteState   = 1.0e-6_pReal
+  rTol_crystalliteStress  = 1.0e-6_pReal
+  aTol_crystalliteStress  = 1.0e-8_pReal
+  resToler                = 1.0e-4_pReal
+  resAbsol                = 1.0e+2_pReal
+  resBound                = 1.0e+1_pReal
+  NRiterMax               = 24_pInt
 
-  line = ''
+  ! try to open the config file
-  ! read variables from config file
+  if(IO_open_file(fileunit,numerics_configFile)) then 
-  do
+  
-    read(fileunit,'(a1024)',END=100) line
+    write(6,*) '   ... using values from config file'
-    if (IO_isBlank(line)) cycle                           ! skip empty lines
+    write(6,*)
-    positions = IO_stringPos(line,maxNchunks)
+    
-    tag = IO_lc(IO_stringValue(line,positions,1))         ! extract key
+    line = ''
-    select case(tag)
+    ! read variables from config file and overwrite parameters
-      case ('relevantstrain')
+    do
-            relevantStrain = IO_floatValue(line,positions,2)
+      read(fileunit,'(a1024)',END=100) line
-      case ('ijacostiffness')
+      if (IO_isBlank(line)) cycle                           ! skip empty lines
-            iJacoStiffness = IO_intValue(line,positions,2)
+      positions = IO_stringPos(line,maxNchunks)
-      case ('ijacolpresiduum')
+      tag = IO_lc(IO_stringValue(line,positions,1))         ! extract key
-            iJacoLpresiduum = IO_intValue(line,positions,2)
+      select case(tag)
-      case ('pert_fg')
+        case ('relevantstrain')
-            pert_Fg = IO_floatValue(line,positions,2)
+              relevantStrain = IO_floatValue(line,positions,2)
-      case ('nhomog')
+        case ('ijacostiffness')
-            nHomog = IO_intValue(line,positions,2)
+              iJacoStiffness = IO_intValue(line,positions,2)
-      case ('ncryst')
+        case ('ijacolpresiduum')
-            nCryst = IO_intValue(line,positions,2)
+              iJacoLpresiduum = IO_intValue(line,positions,2)
-      case ('nstate')
+        case ('pert_fg')
-            nState = IO_intValue(line,positions,2)
+              pert_Fg = IO_floatValue(line,positions,2)
-      case ('nstress')
+        case ('nhomog')
-            nStress = IO_intValue(line,positions,2)
+              nHomog = IO_intValue(line,positions,2)
-      case ('substepmin')
+        case ('ncryst')
-            subStepMin = IO_floatValue(line,positions,2)
+              nCryst = IO_intValue(line,positions,2)
-      case ('rtol_crystallitestate')
+        case ('nstate')
-            rTol_crystalliteState = IO_floatValue(line,positions,2)
+              nState = IO_intValue(line,positions,2)
-      case ('rtol_crystallitestress')
+        case ('nstress')
-            rTol_crystalliteStress = IO_floatValue(line,positions,2)
+              nStress = IO_intValue(line,positions,2)
-      case ('atol_crystallitestress')
+        case ('substepmin')
-            aTol_crystalliteStress = IO_floatValue(line,positions,2)
+              subStepMin = IO_floatValue(line,positions,2)
-      case ('restoler')
+        case ('rtol_crystallitestate')
-            resToler = IO_floatValue(line,positions,2)
+              rTol_crystalliteState = IO_floatValue(line,positions,2)
-      case ('resabsol')
+        case ('rtol_crystallitestress')
-            resAbsol = IO_floatValue(line,positions,2)
+              rTol_crystalliteStress = IO_floatValue(line,positions,2)
-      case ('resbound')
+        case ('atol_crystallitestress')
-            resBound = IO_floatValue(line,positions,2)
+              aTol_crystalliteStress = IO_floatValue(line,positions,2)
-      case ('nritermax')
+        case ('restoler')
-            NRiterMax = IO_intValue(line,positions,2)
+              resToler = IO_floatValue(line,positions,2)
-    end select
+        case ('resabsol')
-  enddo
+              resAbsol = IO_floatValue(line,positions,2)
+        case ('resbound')
+              resBound = IO_floatValue(line,positions,2)
+        case ('nritermax')
+              NRiterMax = IO_intValue(line,positions,2)
+      endselect
+    enddo
+    100 close(fileunit)
+  
+  ! no config file, so we use standard values
+  else 
+  
+    write(6,*) '   ... using standard values'
+    write(6,*)
+    
+  endif
+
+  ! writing parameters to output file
+  write(6,'(a24,x,e8.1)') 'relevantStrain:         ',relevantStrain
+  write(6,'(a24,x,i8)')   'iJacoStiffness:         ',iJacoStiffness
+  write(6,'(a24,x,i8)')   'iJacoLpresiduum:        ',iJacoLpresiduum
+  write(6,'(a24,x,e8.1)') 'pert_Fg:                ',pert_Fg
+  write(6,'(a24,x,i8)')   'nHomog:                 ',nHomog
+  write(6,'(a24,x,i8)')   'nCryst:                 ',nCryst
+  write(6,'(a24,x,i8)')   'nState:                 ',nState
+  write(6,'(a24,x,i8)')   'nStress:                ',nStress
+  write(6,'(a24,x,e8.1)') 'subStepMin:             ',subStepMin
+  write(6,'(a24,x,e8.1)') 'rTol_crystalliteState:  ',rTol_crystalliteState
+  write(6,'(a24,x,e8.1)') 'rTol_crystalliteStress: ',rTol_crystalliteStress
+  write(6,'(a24,x,e8.1)') 'aTol_crystalliteStress: ',aTol_crystalliteStress
+  write(6,'(a24,x,e8.1)') 'resToler:               ',resToler
+  write(6,'(a24,x,e8.1)') 'resAbsol:               ',resAbsol
+  write(6,'(a24,x,e8.1)') 'resBound:               ',resBound
+  write(6,'(a24,x,i8)')   'NRiterMax:              ',NRiterMax
+  write(6,*)
   
-  100 write(6,*)
   ! sanity check  
   if (relevantStrain <= 0.0_pReal)          call IO_error(260)
   if (iJacoStiffness < 1_pInt)              call IO_error(261)
@@ -157,13 +191,6 @@ subroutine numerics_init()
   if (resBound <= 0.0_pReal)                call IO_error(274)
   if (NRiterMax < 1_pInt)                   call IO_error(275)
  
-  close(fileunit)
-  
-  write(6,*)
-  write(6,*) '<<<+-  numerics init  -+>>>'
-  write(6,*) '...done'
-  write(6,*)
- 
 endsubroutine
 
 END MODULE numerics