polishing

src/grid/DAMASK_grid.f90

@@ -320,7 +320,7 @@ program DAMASK_grid
 
 !--------------------------------------------------------------------------------------------------
 ! doing initialization depending on active solvers
- call Utilities_init
+ call spectral_Utilities_init
  do field = 1, nActiveFields
    select case (loadCases(1)%ID(field))
      case(FIELD_MECH_ID)

src/grid/spectral_utilities.f90

@@ -136,7 +136,7 @@ module spectral_utilities
     spectral_derivative_ID
 
   public :: &
-    utilities_init, &
+    spectral_utilities_init, &
     utilities_updateGamma, &
     utilities_FFTtensorForward, &
     utilities_FFTtensorBackward, &
@@ -173,7 +173,7 @@ contains
 !> level chosen.
 !> Initializes FFTW.
 !--------------------------------------------------------------------------------------------------
-subroutine utilities_init
+subroutine spectral_utilities_init
 
   PetscErrorCode :: ierr
   integer        :: i, j, k, &
@@ -382,7 +382,7 @@ subroutine utilities_init
     allocate (gamma_hat(3,3,3,3,grid1Red,grid(2),grid3), source = cmplx(0.0_pReal,0.0_pReal,pReal))
   endif
 
-end subroutine utilities_init
+end subroutine spectral_utilities_init
 
 
 !---------------------------------------------------------------------------------------------------

src/mesh/DAMASK_mesh.f90

@@ -236,7 +236,7 @@ program DAMASK_mesh
 
 !--------------------------------------------------------------------------------------------------
 ! doing initialization depending on active solvers
-  call Utilities_init
+  call FEM_Utilities_init
   do field = 1, nActiveFields
     select case (loadCases(1)%fieldBC(field)%ID)
       case(FIELD_MECH_ID)

src/mesh/FEM_utilities.f90

@@ -85,7 +85,7 @@ module FEM_utilities
   end type tLoadCase
   
   public :: &
-    utilities_init, &
+    FEM_utilities_init, &
     utilities_constitutiveResponse, &
     utilities_projectBCValues, &
     FIELD_MECH_ID, &
@@ -99,7 +99,7 @@ contains
 !--------------------------------------------------------------------------------------------------
 !> @brief allocates all neccessary fields, sets debug flags
 !--------------------------------------------------------------------------------------------------
-subroutine utilities_init
+subroutine FEM_utilities_init
    
   character(len=pStringLen) :: petsc_optionsOrder
   class(tNode), pointer :: &
@@ -141,7 +141,7 @@ subroutine utilities_init
   wgt = 1.0/real(mesh_maxNips*mesh_NcpElemsGlobal,pReal)
 
 
-end subroutine utilities_init
+end subroutine FEM_utilities_init
 
 
 !--------------------------------------------------------------------------------------------------

src/numerics.f90

@@ -4,10 +4,10 @@
 !> @brief Managing of parameters related to numerics
 !--------------------------------------------------------------------------------------------------
 module numerics
- use prec
+  use prec
- use IO
+  use IO
- use YAML_types
+  use YAML_types
- use YAML_parse
+  use YAML_parse
 
 #ifdef PETSc
 #include <petsc/finclude/petscsys.h>
@@ -15,38 +15,38 @@ module numerics
 #endif
 !$ use OMP_LIB
 
- implicit none
+  implicit none
- private
+  private
-
+  
- class(tNode), pointer, public :: &
+  class(tNode), pointer, public :: &
-   numerics_root
+    numerics_root
- integer, protected, public    :: &
+  integer, protected, public    :: &
-   worldrank                  =  0, &                                                               !< MPI worldrank (/=0 for MPI simulations only)
+    worldrank                  =  0, &                                                               !< MPI worldrank (/=0 for MPI simulations only)
-   worldsize                  =  1                                                                  !< MPI worldsize (/=1 for MPI simulations only)
+    worldsize                  =  1                                                                  !< MPI worldsize (/=1 for MPI simulations only)
- integer(4), protected, public :: &
+  integer(4), protected, public :: &
-   DAMASK_NumThreadsInt       =  0                                                                  !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
+    DAMASK_NumThreadsInt       =  0                                                                  !< value stored in environment variable DAMASK_NUM_THREADS, set to zero if no OpenMP directive
 
 !--------------------------------------------------------------------------------------------------
 ! field parameters:
- integer, protected, public :: &
+  integer, protected, public :: &
-   itmax                      =  250, &                                                             !< maximum number of iterations
+    itmax                      =  250, &                                                             !< maximum number of iterations
-   itmin                      =  1                                                                  !< minimum number of iterations
+    itmin                      =  1                                                                  !< minimum number of iterations
-
+  
 !--------------------------------------------------------------------------------------------------
 ! spectral parameters:
 #ifdef Grid
- character(len=pStringLen), protected, public :: &
+  character(len=pStringLen), protected, public :: &
-   petsc_options              = ''
+    petsc_options              = ''
 #endif
 
 !--------------------------------------------------------------------------------------------------
 ! Mesh parameters:
 #ifdef Mesh
- character(len=pStringLen), protected, public :: &
+  character(len=pStringLen), protected, public :: &
-   petsc_options           = ''
+    petsc_options           = ''
 #endif
 
- public :: numerics_init
+  public :: numerics_init
 
 contains
 
@@ -56,22 +56,22 @@ contains
 ! a sanity check
 !--------------------------------------------------------------------------------------------------
 subroutine numerics_init
+
 !$ integer ::                                gotDAMASK_NUM_THREADS = 1
- integer :: i, ierr
+  integer :: i, ierr
- character(len=:), allocatable :: &
+  character(len=:), allocatable :: &
-   numerics_input, &
+    numerics_input, &
-   numerics_inFlow, &
+    numerics_inFlow
-   key
+  class (tNode), pointer :: &
- class (tNode), pointer :: &
+    num_grid
-   num_grid
+  logical :: fexist
- logical :: fexist
 !$ character(len=6) DAMASK_NumThreadsString                                                         ! environment variable DAMASK_NUM_THREADS
 
 #ifdef PETSc
- call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
+  call MPI_Comm_rank(PETSC_COMM_WORLD,worldrank,ierr);CHKERRQ(ierr)
- call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
+  call MPI_Comm_size(PETSC_COMM_WORLD,worldsize,ierr);CHKERRQ(ierr)
 #endif
- write(6,'(/,a)') ' <<<+-  numerics init  -+>>>'
+  write(6,'(/,a)') ' <<<+-  numerics init  -+>>>'
 
 !$ call GET_ENVIRONMENT_VARIABLE(NAME='DAMASK_NUM_THREADS',VALUE=DAMASK_NumThreadsString,STATUS=gotDAMASK_NUM_THREADS)   ! get environment variable DAMASK_NUM_THREADS...
 !$ if(gotDAMASK_NUM_THREADS /= 0) then                                                              ! could not get number of threads, set it to 1
@@ -83,35 +83,27 @@ subroutine numerics_init
 !$ endif
 !$ call omp_set_num_threads(DAMASK_NumThreadsInt)                                                   ! set number of threads for parallel execution
 
- numerics_root => emptyDict
+  numerics_root => emptyDict
- inquire(file='numerics.yaml', exist=fexist)
+  inquire(file='numerics.yaml', exist=fexist)
- 
+  
- fileExists: if (fexist) then
+  fileExists: if (fexist) then
-   write(6,'(a,/)') ' using values from config file'
+    write(6,'(a,/)') ' using values from config file'
-   flush(6)
+    flush(6)
-   numerics_input =  IO_read('numerics.yaml')
+    numerics_input =  IO_read('numerics.yaml')
-   numerics_inFlow = to_flow(numerics_input)
+    numerics_inFlow = to_flow(numerics_input)
-   numerics_root =>  parse_flow(numerics_inFlow,defaultVal=emptyDict)
+    numerics_root =>  parse_flow(numerics_inFlow,defaultVal=emptyDict)
 !--------------------------------------------------------------------------------------------------
-! spectral parameters
+! grid parameters
-   num_grid => numerics_root%get('grid',defaultVal=emptyDict)
+    num_grid => numerics_root%get('grid',defaultVal=emptyDict)
-   do i=1,num_grid%length
+    itmax = num_grid%get_asInt('itmax',defaultVal=250)
-     key = num_grid%getKey(i)
+    itmin = num_grid%get_asInt('itmin',defaultVal=1)
-     select case(key) 
-       case ('itmax')
-         itmax = num_grid%get_asInt(key)
-       case ('itmin')
-         itmin = num_grid%get_asInt(key)
 #ifdef PETSC
-       case ('petsc_options')
+    petsc_options = num_grid%get_asString('petsc_options',defaultVal = '')
-         petsc_options = num_grid%get_asString(key)
 #endif 
-     endselect
+  else fileExists
-   enddo
+    write(6,'(a,/)') ' using standard values'
- else fileExists
+    flush(6)
-   write(6,'(a,/)') ' using standard values'
+  endif fileExists
-   flush(6)
- endif fileExists
 
 !--------------------------------------------------------------------------------------------------
 ! openMP parameter
@@ -119,18 +111,18 @@ subroutine numerics_init
 
 !--------------------------------------------------------------------------------------------------
 ! field parameters
- write(6,'(a24,1x,i8)')      ' itmax:                  ',itmax
+  write(6,'(a24,1x,i8)')      ' itmax:                  ',itmax
- write(6,'(a24,1x,i8)')      ' itmin:                  ',itmin
+  write(6,'(a24,1x,i8)')      ' itmin:                  ',itmin
 
 !--------------------------------------------------------------------------------------------------
 #ifdef PETSC
- write(6,'(a24,1x,a)')       ' PETSc_options:          ',trim(petsc_options)
+  write(6,'(a24,1x,a)')       ' PETSc_options:          ',trim(petsc_options)
 #endif
 
 !--------------------------------------------------------------------------------------------------
 ! sanity checks
- if (itmax <= 1)                           call IO_error(301,ext_msg='itmax')
+  if (itmax <= 1)                           call IO_error(301,ext_msg='itmax')
- if (itmin > itmax .or. itmin < 1)         call IO_error(301,ext_msg='itmin')
+  if (itmin > itmax .or. itmin < 1)         call IO_error(301,ext_msg='itmin')
 
 end subroutine numerics_init