store data directly in HDF5

src/grid/grid_mech_spectral_basic.f90

@@ -77,6 +77,7 @@ module grid_mechanical_spectral_basic
     C_volAvgLastInc = 0.0_pReal, &                                                                  !< previous volume average stiffness
     C_minMaxAvg = 0.0_pReal, &                                                                      !< current (min+max)/2 stiffness
     C_minMaxAvgLastInc = 0.0_pReal, &                                                               !< previous (min+max)/2 stiffness
+    C_minMaxAvgRestart = 0.0_pReal, &                                                               !< (min+max)/2 stiffnes (restart)
     S = 0.0_pReal                                                                                   !< current compliance (filled up with zeros)
 
   real(pReal) :: &
@@ -256,21 +257,17 @@ subroutine grid_mechanical_spectral_basic_init()
     call HDF5_read(C_volAvgLastInc,groupHandle,'C_volAvgLastInc',.false.)
     call MPI_Bcast(C_volAvgLastInc,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
     if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
+    call HDF5_read(C_minMaxAvg,groupHandle,'C_minMaxAvg',.false.)
+    call MPI_Bcast(C_minMaxAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
+    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
 
     call HDF5_closeGroup(groupHandle)
     call HDF5_closeFile(fileHandle)
 
-    call MPI_File_open(MPI_COMM_WORLD, trim(getSolverJobName())//'.C_ref', &
-                       MPI_MODE_RDONLY,MPI_INFO_NULL,fileUnit,err_MPI)
-    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
-    call MPI_File_read(fileUnit,C_minMaxAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,status,err_MPI)
-    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
-    call MPI_File_close(fileUnit,err_MPI)
-    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
   end if restartRead2
 
   call utilities_updateGamma(C_minMaxAvg)
-  call utilities_saveReferenceStiffness
+  C_minMaxAvgRestart = C_minMaxAvg
 
 end subroutine grid_mechanical_spectral_basic_init
 
@@ -420,6 +417,8 @@ subroutine grid_mechanical_spectral_basic_restartWrite
   call DMDAVecGetArrayF90(da,solution_vec,F,err_PETSc)
   CHKERRQ(err_PETSc)
 
+  if (num%update_gamma) C_minMaxAvgRestart = C_minMaxAvg
+
   print'(1x,a)', 'writing solver data required for restart to file'; flush(IO_STDOUT)
 
   fileHandle  = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
@@ -438,13 +437,11 @@ subroutine grid_mechanical_spectral_basic_restartWrite
     call HDF5_write(F_aimDot,groupHandle,'F_aimDot',.false.)
     call HDF5_write(C_volAvg,groupHandle,'C_volAvg',.false.)
     call HDF5_write(C_volAvgLastInc,groupHandle,'C_volAvgLastInc',.false.)
-    call HDF5_write(C_minMaxAvg,groupHandle,'C_minMaxAvg',.false.)
+    call HDF5_write(C_minMaxAvgRestart,groupHandle,'C_minMaxAvg',.false.)
     call HDF5_closeGroup(groupHandle)
     call HDF5_closeFile(fileHandle)
   end if
 
-  if (num%update_gamma) call utilities_saveReferenceStiffness
-
   call DMDAVecRestoreArrayF90(da,solution_vec,F,err_PETSc)
   CHKERRQ(err_PETSc)
 

src/grid/grid_mech_spectral_polarisation.f90

@@ -85,6 +85,7 @@ module grid_mechanical_spectral_polarisation
     C_volAvgLastInc = 0.0_pReal, &                                                                  !< previous volume average stiffness
     C_minMaxAvg = 0.0_pReal, &                                                                      !< current (min+max)/2 stiffness
     C_minMaxAvgLastInc = 0.0_pReal, &                                                               !< previous (min+max)/2 stiffness
+    C_minMaxAvgRestart = 0.0_pReal, &                                                              !< (min+max)/2 stiffnes (restart)
     S = 0.0_pReal, &                                                                                !< current compliance (filled up with zeros)
     C_scale = 0.0_pReal, &
     S_scale = 0.0_pReal
@@ -283,21 +284,17 @@ subroutine grid_mechanical_spectral_polarisation_init()
     call HDF5_read(C_volAvgLastInc,groupHandle,'C_volAvgLastInc',.false.)
     call MPI_Bcast(C_volAvgLastInc,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
     if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
+    call HDF5_read(C_minMaxAvg,groupHandle,'C_minMaxAvg',.false.)
+    call MPI_Bcast(C_minMaxAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,0_MPI_INTEGER_KIND,MPI_COMM_WORLD,err_MPI)
+    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
 
     call HDF5_closeGroup(groupHandle)
     call HDF5_closeFile(fileHandle)
 
-    call MPI_File_open(MPI_COMM_WORLD, trim(getSolverJobName())//'.C_ref', &
-                       MPI_MODE_RDONLY,MPI_INFO_NULL,fileUnit,err_MPI)
-    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
-    call MPI_File_read(fileUnit,C_minMaxAvg,81_MPI_INTEGER_KIND,MPI_DOUBLE,status,err_MPI)
-    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
-    call MPI_File_close(fileUnit,err_MPI)
-    if (err_MPI /= 0_MPI_INTEGER_KIND) error stop 'MPI error'
   end if restartRead2
 
   call utilities_updateGamma(C_minMaxAvg)
-  call utilities_saveReferenceStiffness
+  C_minMaxAvgRestart = C_minMaxAvg
   C_scale = C_minMaxAvg
   S_scale = math_invSym3333(C_minMaxAvg)
 
@@ -477,6 +474,8 @@ subroutine grid_mechanical_spectral_polarisation_restartWrite
   F     => FandF_tau(0: 8,:,:,:)
   F_tau => FandF_tau(9:17,:,:,:)
 
+  if (num%update_gamma) C_minMaxAvgRestart = C_minMaxAvg
+
   print'(1x,a)', 'writing solver data required for restart to file'; flush(IO_STDOUT)
 
   fileHandle  = HDF5_openFile(getSolverJobName()//'_restart.hdf5','w')
@@ -497,12 +496,11 @@ subroutine grid_mechanical_spectral_polarisation_restartWrite
     call HDF5_write(F_aimDot,groupHandle,'F_aimDot',.false.)
     call HDF5_write(C_volAvg,groupHandle,'C_volAvg',.false.)
     call HDF5_write(C_volAvgLastInc,groupHandle,'C_volAvgLastInc',.false.)
+    call HDF5_write(C_minMaxAvgRestart,groupHandle,'C_minMaxAvg',.false.)
     call HDF5_closeGroup(groupHandle)
     call HDF5_closeFile(fileHandle)
   end if
 
-  if (num%update_gamma) call utilities_saveReferenceStiffness
-
   call DMDAVecRestoreArrayF90(da,solution_vec,FandF_tau,err_PETSc)
   CHKERRQ(err_PETSc)
 

src/grid/spectral_utilities.f90

@@ -126,8 +126,7 @@ module spectral_utilities
     utilities_constitutiveResponse, &
     utilities_calculateRate, &
     utilities_forwardField, &
-    utilities_updateCoords, &
+    utilities_updateCoords
-    utilities_saveReferenceStiffness
 
 contains
 
@@ -1098,27 +1097,6 @@ subroutine utilities_updateCoords(F)
 end subroutine utilities_updateCoords
 
 
-!---------------------------------------------------------------------------------------------------
-!> @brief Write out the current reference stiffness for restart.
-!---------------------------------------------------------------------------------------------------
-subroutine utilities_saveReferenceStiffness()
-
-  integer :: &
-    fileUnit,ierr
-
-
-  if (worldrank == 0) then
-    print'(/,1x,a)', '... writing reference stiffness data required for restart to file .........'; flush(IO_STDOUT)
-    open(newunit=fileUnit, file=getSolverJobName()//'.C_ref',&
-         status='replace',access='stream',action='write',iostat=ierr)
-    if (ierr /=0) call IO_error(100,ext_msg='could not open file '//getSolverJobName()//'.C_ref')
-    write(fileUnit) C_ref*wgt
-    close(fileUnit)
-  end if
-
-end subroutine utilities_saveReferenceStiffness
-
-
 !--------------------------------------------------------------------------------------------------
 !> @brief Check correctness of forward-backward transform.
 !--------------------------------------------------------------------------------------------------