mpie_cpfem_marc.f90 >>> changing the compilation sequence of modules: numerics.f90 and IO.f90 move up, while math.f90 down.

IO.f90 >>> adding "inRad" instead of using inRad from math.f90 module, since math.f90 module is now below IO.f90.

numerics.f90 >>> now can read the parameter "fixed_seed" from numerics.config. this parameter is used to set a pseudo-random number generator/fixed seeding. default value is 0 (zero), which will give fully random number.

math.f90 >> adding a possibility to fix the seeding (i.e., pseudo random number)

numerics.config >>> add a new parameter: "fixed_seed"

code/IO.f90

@@ -134,7 +134,6 @@
  function IO_hybridIA(Nast,ODFfileName)
 
  use prec, only: pReal, pInt
- use math, only: inRad
 
  implicit none
  
@@ -150,6 +149,9 @@
  real(pReal), dimension(:,:,:), allocatable :: dV_V
  real(pReal), dimension(3,Nast) :: IO_hybridIA
 
+ real(pReal), parameter :: pi = 3.14159265358979323846264338327950288419716939937510_pReal
+ real(pReal), parameter :: inRad = pi/180.0_pReal
+
  if (.not. IO_open_file(999,ODFfileName)) goto 100
  
 !--- parse header of ODF file ---

code/math.f90

@@ -213,13 +213,22 @@ real(pReal), dimension(132,3), parameter :: sym = &
  SUBROUTINE math_init ()
 
  use prec, only: pReal,pInt
+ use numerics, only: fixedSeed
  implicit none
 
+ integer (pInt), dimension(1) :: randInit
  integer (pInt) seed
  
+ if (fixedSeed > 0_pInt) then
+   randInit = fixedSeed
+   call random_seed(put=randInit)
+ else
    call random_seed()
+ endif
+
  call get_seed(seed)
- seed = 1
+ if (fixedSeed > 0_pInt) seed = int(dble(fixedSeed)/2.0) + 1_pInt
+ 
  call halton_seed_set(seed)
  call halton_ndim_set(3)
    

code/mpie_cpfem_marc.f90

@@ -35,9 +35,9 @@
 !********************************************************************
 !
  include "prec.f90"             ! uses nothing else
- include "math.f90"             ! uses prec
+ include "IO.f90"               ! uses prec
- include "IO.f90"               ! uses prec, math
  include "numerics.f90"         ! uses prec, IO
+ include "math.f90"             ! uses prec, numerics
  include "debug.f90"            ! uses prec, numerics
  include "FEsolving.f90"        ! uses prec, IO
  include "mesh.f90"             ! uses prec, math, IO, FEsolving

code/numerics.config

@@ -1,22 +1,24 @@
 
 ### numerical parameters ###
 
-relevantStrain                1.0e-7      # strain increment considered significant
+relevantStrain            1.0e-9      # strain increment considered significant
 iJacoStiffness            1           # frequency of stiffness update
 iJacoLpresiduum           1           # frequency of Jacobian update of residuum in Lp
-pert_Fg                       1.0e-6      # strain perturbation for FEM Jacobi
+pert_Fg                   1.0e-7      # strain perturbation for FEM Jacobi
-nHomog                        20          # homogenization loop limit
+nHomog                    25          # homogenization loop limit
-nMPstate                      10          # material point state loop limit
 nCryst                    20          # crystallite loop limit (only for debugging info, real loop limit is "subStepMin")
-nState                        10          # state loop limit
+nState                    40          # state loop limit
-nStress                       40          # stress loop limit
+nStress                   80          # 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_crystalliteTemperature   1.0e-6      # relative tolerance in crystallite temperature 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
+aTol_RGC                  1.0e+4      # absolute tolerance of RGC residuum (in Pa)
-resAbsol                      1.0e+2      # absolute tolerance of residual in GIA iteration (corresponds to ~1 Pa)
+rTol_RGC                  1.0e-3      # relative ...
-resBound                      1.0e+1      # relative maximum value (upper bound) for GIA residual
+aMax_RGC                  1.0e+12     # absolute upper-limit of RGC residuum (in Pa)
-NRiterMax                     24          # maximum number of GIA iteration
+rMax_RGC                  1.0e+3      # relative ...
+perturbPenalty_RGC        1.0e-8      # perturbation for computing penalty tangent
+relevantMismatch_RGC      1.0e-5      # minimum threshold of mismatch
+
+fixed_seed                1234        # put any number larger than zero, integer, if you want to have a pseudo random distribution

code/numerics.f90

@@ -29,6 +29,9 @@ real(pReal)                     relevantStrain, &                       ! strain
                                 pPert_RGC, &                            ! perturbation for computing RGC penalty tangent
                                 xSmoo_RGC                               ! RGC penalty smoothing parameter (hyperbolic tangent)
 
+!* Random seeding parameters: added <<<updated 27.08.2009>>>
+integer(pInt)                   fixedSeed                            ! fixed seeding for pseudo-random number generator
+								
 CONTAINS
  
 !*******************************************
@@ -89,6 +92,9 @@ subroutine numerics_init()
   pPert_RGC               = 1.0e-8
   xSmoo_RGC               = 1.0e-5
 
+!* Random seeding parameters: added <<<updated 27.08.2009>>>
+  fixedSeed               = 0_pInt
+
   ! try to open the config file
   if(IO_open_file(fileunit,numerics_configFile)) then 
   
@@ -146,6 +152,9 @@ subroutine numerics_init()
         case ('relevantmismatch_rgc')
               xSmoo_RGC = IO_floatValue(line,positions,2)
 
+!* Random seeding parameters: added <<<updated 27.08.2009>>>
+        case ('fixed_seed')
+              fixedSeed = IO_floatValue(line,positions,2)
       endselect
     enddo
     100 close(fileunit)
@@ -181,6 +190,9 @@ subroutine numerics_init()
   write(6,'(a24,x,e8.1)') 'rMax_RGC:             ',relMax_RGC
   write(6,'(a24,x,e8.1)') 'perturbPenalty_RGC:   ',pPert_RGC
   write(6,'(a24,x,e8.1)') 'relevantMismatch_RGC: ',xSmoo_RGC
+
+!* Random seeding parameters: added <<<updated 27.08.2009>>>
+  write(6,'(a24,x,i8)')   'fixed_seed:           ',fixedSeed
   write(6,*)
   
   ! sanity check  
@@ -207,6 +219,7 @@ subroutine numerics_init()
   if (pPert_RGC <= 0.0_pReal)               call IO_error(276)   !! oops !!
   if (xSmoo_RGC <= 0.0_pReal)               call IO_error(277)
  
+  if (fixedSeed <= 0_pInt)                  write(6,'(a)') 'Random is random!'
 endsubroutine
 
 END MODULE numerics