polishing

src/grid/grid_mech_FEM.f90

@@ -7,20 +7,20 @@
 module grid_mech_FEM
 #include <petsc/finclude/petscsnes.h>
 #include <petsc/finclude/petscdmda.h>
-  use DAMASK_interface
-  use HDF5_utilities
   use PETScdmda
   use PETScsnes
+
   use prec
-  use debug
+  use DAMASK_interface
+  use HDF5_utilities
+  use math
+  use spectral_utilities
   use FEsolving
   use numerics
   use homogenization
-  use DAMASK_interface
-  use spectral_utilities
   use discretization
   use mesh_grid
-  use math
+  use debug
  
   implicit none
   private
@@ -50,7 +50,7 @@ module grid_mech_FEM
     F_aimDot = 0.0_pReal, &                                                                         !< assumed rate of average deformation gradient
     F_aim = math_I3, &                                                                              !< current prescribed deformation gradient
     F_aim_lastIter = math_I3, &
-    F_aim_lastInc = math_I3, &                                                                      !< previous average deformation gradient
+    F_aim_lastInc  = math_I3, &                                                                     !< previous average deformation gradient
     P_av = 0.0_pReal                                                                                !< average 1st Piola--Kirchhoff stress
  
   character(len=1024), private :: incInfo                                                           !< time and increment information
@@ -80,8 +80,8 @@ contains
 !--------------------------------------------------------------------------------------------------
 subroutine grid_mech_FEM_init
     
-  real(pReal) :: HGCoeff = 0e-2_pReal
-  PetscInt, dimension(:), allocatable :: localK
+  real(pReal) :: HGCoeff = 0.0e-2_pReal
+  PetscInt, dimension(worldsize) :: localK
   real(pReal), dimension(3,3) :: &
     temp33_Real = 0.0_pReal
   real(pReal), dimension(4,8) :: &
@@ -121,10 +121,9 @@ subroutine grid_mech_FEM_init
 ! initialize solver specific parts of PETSc
   call SNESCreate(PETSC_COMM_WORLD,mech_snes,ierr); CHKERRQ(ierr)
   call SNESSetOptionsPrefix(mech_snes,'mech_',ierr);CHKERRQ(ierr) 
-  allocate(localK(worldsize), source = 0); localK(worldrank+1) = grid3
-  do rank = 1, worldsize
-    call MPI_Bcast(localK(rank),1,MPI_INTEGER,rank-1,PETSC_COMM_WORLD,ierr)
-  enddo  
+  localK              = 0
+  localK(worldrank+1) = grid3
+  call MPI_Allreduce(MPI_IN_PLACE,localK,worldsize,MPI_INTEGER,MPI_SUM,PETSC_COMM_WORLD,ierr)
   call DMDACreate3d(PETSC_COMM_WORLD, &
          DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, DM_BOUNDARY_PERIODIC, &
          DMDA_STENCIL_BOX, &

src/grid/grid_mech_spectral_basic.f90

@@ -282,7 +282,7 @@ subroutine grid_mech_spectral_basic_forward(cutBack,guess,timeinc,timeinc_old,lo
     F_aimDot = merge(stress_BC%maskFloat*(F_aim-F_aim_lastInc)/timeinc_old, 0.0_pReal, guess)
     F_aim_lastInc = F_aim
 
-    !--------------------------------------------------------------------------------------------------
+    !-----------------------------------------------------------------------------------------------
     ! calculate rate for aim
     if     (deformation_BC%myType=='l') then                                                         ! calculate F_aimDot from given L and current F
       F_aimDot = &