Martin Diehl
parent
ee56b82c8a
commit
63fc125398
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@ -37,7 +37,7 @@ class DADF5():
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self.version_major = f.attrs['DADF5-major']
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self.version_minor = f.attrs['DADF5-minor']
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if self.version_major != 0 or not 2 <= self.version_minor <= 4:
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if self.version_major != 0 or not 2 <= self.version_minor <= 5:
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raise TypeError('Unsupported DADF5 version {} '.format(f.attrs['DADF5-version']))
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self.structured = 'grid' in f['geometry'].attrs.keys()
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@ -45,6 +45,9 @@ class DADF5():
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if self.structured:
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self.grid = f['geometry'].attrs['grid']
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self.size = f['geometry'].attrs['size']
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if self.version_major == 0 and self.version_minor >= 5:
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self.origin = f['geometry'].attrs['origin']
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r=re.compile('inc[0-9]+')
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increments_unsorted = {int(i[3:]):i for i in f.keys() if r.match(i)}
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@ -830,7 +833,7 @@ class DADF5():
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N_not_calculated = len(todo)
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while N_not_calculated > 0:
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result = results.get()
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with h5py.File(self.fname,'a') as f: # write to file
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with h5py.File(self.fname,'a') as f: # write to file
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dataset_out = f[result['group']].create_dataset(result['label'],data=result['data'])
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for k in result['meta'].keys():
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dataset_out.attrs[k] = result['meta'][k].encode()
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@ -14,10 +14,10 @@ module CPFEM2
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use material
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use lattice
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use IO
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use HDF5
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use DAMASK_interface
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use results
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use discretization
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use HDF5
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use HDF5_utilities
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use homogenization
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use constitutive
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@ -27,9 +27,8 @@ module mesh_grid
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integer, public, protected :: &
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grid3, & !< (local) grid in 3rd direction
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grid3Offset !< (local) grid offset in 3rd direction
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real(pReal), dimension(3), public, protected :: &
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geomSize
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geomSize !< (global) physical size
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real(pReal), public, protected :: &
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size3, & !< (local) size in 3rd direction
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size3offset !< (local) size offset in 3rd direction
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@ -49,7 +48,8 @@ subroutine mesh_init(ip,el)
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include 'fftw3-mpi.f03'
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real(pReal), dimension(3) :: &
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mySize !< domain size of this process
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mySize, & !< domain size of this process
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origin !< (global) distance to origin
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integer, dimension(3) :: &
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myGrid !< domain grid of this process
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@ -61,9 +61,9 @@ subroutine mesh_init(ip,el)
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integer(C_INTPTR_T) :: &
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devNull, z, z_offset
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write(6,'(/,a)') ' <<<+- mesh_grid init -+>>>'
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write(6,'(/,a)') ' <<<+- mesh_grid init -+>>>'; flush(6)
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call readGeom(grid,geomSize,microstructureAt,homogenizationAt)
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call readGeom(grid,geomSize,origin,microstructureAt,homogenizationAt)
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!--------------------------------------------------------------------------------------------------
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! grid solver specific quantities
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@ -104,8 +104,9 @@ subroutine mesh_init(ip,el)
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! store geometry information for post processing
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call results_openJobFile
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call results_closeGroup(results_addGroup('geometry'))
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call results_addAttribute('grid',grid,'geometry')
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call results_addAttribute('size',geomSize,'geometry')
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call results_addAttribute('grid', grid, 'geometry')
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call results_addAttribute('size', geomSize,'geometry')
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call results_addAttribute('origin',origin, 'geometry')
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call results_closeJobFile
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!--------------------------------------------------------------------------------------------------
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@ -129,10 +130,13 @@ end subroutine mesh_init
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!> @details important variables have an implicit "save" attribute. Therefore, this function is
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! supposed to be called only once!
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!--------------------------------------------------------------------------------------------------
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subroutine readGeom(grid,geomSize,microstructure,homogenization)
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subroutine readGeom(grid,geomSize,origin,microstructure,homogenization)
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integer, dimension(3), intent(out) :: grid ! grid (for all processes!)
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real(pReal), dimension(3), intent(out) :: geomSize ! size (for all processes!)
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integer, dimension(3), intent(out) :: &
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grid ! grid (for all processes!)
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real(pReal), dimension(3), intent(out) :: &
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geomSize, & ! size (for all processes!)
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origin ! origin (for all processes!)
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integer, dimension(:), intent(out), allocatable :: &
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microstructure, &
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homogenization
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@ -181,6 +185,7 @@ subroutine readGeom(grid,geomSize,microstructure,homogenization)
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!--------------------------------------------------------------------------------------------------
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! read and interprete header
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origin = 0.0_pReal
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l = 0
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do while (l < headerLength .and. startPos < len(rawData))
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endPos = startPos + index(rawData(startPos:),new_line('')) - 1
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@ -221,8 +226,23 @@ subroutine readGeom(grid,geomSize,microstructure,homogenization)
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enddo
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endif
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case ('origin')
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if (chunkPos(1) > 6) then
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do j = 2,6,2
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select case (IO_lc(IO_stringValue(line,chunkPos,j)))
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case('x')
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origin(1) = IO_floatValue(line,chunkPos,j+1)
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case('y')
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origin(2) = IO_floatValue(line,chunkPos,j+1)
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case('z')
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origin(3) = IO_floatValue(line,chunkPos,j+1)
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end select
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enddo
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endif
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case ('homogenization')
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if (chunkPos(1) > 1) h = IO_intValue(line,chunkPos,2)
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end select
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enddo
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@ -70,7 +70,7 @@ subroutine results_init
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resultsFile = HDF5_openFile(trim(getSolverJobName())//'.hdf5','w',.true.)
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call HDF5_addAttribute(resultsFile,'DADF5_version_major',0)
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call HDF5_addAttribute(resultsFile,'DADF5_version_minor',4)
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call HDF5_addAttribute(resultsFile,'DADF5_version_minor',5)
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call HDF5_addAttribute(resultsFile,'DAMASK_version',DAMASKVERSION)
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call get_command(commandLine)
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call HDF5_addAttribute(resultsFile,'call',trim(commandLine))
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