Merge branch 'select-rank-hdf5' into 'development'
avoid code duplication by using assumed rank "(..)" Closes #183 See merge request damask/DAMASK!562
This commit is contained in:
Sharan Roongta
commit
e8c1f84539
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@ -48,6 +48,7 @@ module HDF5_utilities
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!> @details for parallel IO, all dimension except for the last need to match
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!> @details for parallel IO, all dimension except for the last need to match
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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interface HDF5_write
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interface HDF5_write
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#if defined(__GFORTRAN__) && __GNUC__<11
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module procedure HDF5_write_real1
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module procedure HDF5_write_real1
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module procedure HDF5_write_real2
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module procedure HDF5_write_real2
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module procedure HDF5_write_real3
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module procedure HDF5_write_real3
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@ -55,7 +56,6 @@ module HDF5_utilities
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module procedure HDF5_write_real5
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module procedure HDF5_write_real5
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module procedure HDF5_write_real6
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module procedure HDF5_write_real6
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module procedure HDF5_write_real7
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module procedure HDF5_write_real7
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module procedure HDF5_write_int1
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module procedure HDF5_write_int1
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module procedure HDF5_write_int2
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module procedure HDF5_write_int2
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module procedure HDF5_write_int3
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module procedure HDF5_write_int3
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@ -63,6 +63,10 @@ module HDF5_utilities
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module procedure HDF5_write_int5
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module procedure HDF5_write_int5
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module procedure HDF5_write_int6
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module procedure HDF5_write_int6
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module procedure HDF5_write_int7
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module procedure HDF5_write_int7
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#else
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module procedure HDF5_write_real
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module procedure HDF5_write_int
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#endif
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end interface HDF5_write
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end interface HDF5_write
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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@ -1210,6 +1214,7 @@ subroutine HDF5_read_int7(dataset,loc_id,datasetName,parallel)
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end subroutine HDF5_read_int7
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end subroutine HDF5_read_int7
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#if defined(__GFORTRAN__) && __GNUC__<11
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief write dataset of type real with 1 dimension
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!> @brief write dataset of type real with 1 dimension
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@ -1499,6 +1504,71 @@ subroutine HDF5_write_real7(dataset,loc_id,datasetName,parallel)
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end subroutine HDF5_write_real7
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end subroutine HDF5_write_real7
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#else
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!--------------------------------------------------------------------------------------------------
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!> @brief write dataset of type real with 1-7 dimension
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_real(dataset,loc_id,datasetName,parallel)
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real(pReal), intent(in), dimension(..) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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integer :: hdferr
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integer(HID_T) :: dset_id, filespace_id, memspace_id, plist_id
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integer(HSIZE_T), dimension(rank(dataset)) :: &
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myStart, &
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myShape, & !< shape of the dataset (this process)
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totalShape !< shape of the dataset (all processes)
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!---------------------------------------------------------------------------------------------------
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! determine shape of dataset
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myShape = int(shape(dataset),HSIZE_T)
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if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
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if (present(parallel)) then
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call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
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myStart, totalShape,loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel)
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else
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call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
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myStart, totalShape,loc_id,myShape,datasetName,H5T_NATIVE_DOUBLE,parallel_default)
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end if
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if (product(totalShape) /= 0) then
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select rank(dataset)
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rank (1)
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call H5Dwrite_f(dset_id, H5T_NATIVE_DOUBLE,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank (2)
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call H5Dwrite_f(dset_id, H5T_NATIVE_DOUBLE,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank (3)
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call H5Dwrite_f(dset_id, H5T_NATIVE_DOUBLE,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank (4)
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call H5Dwrite_f(dset_id, H5T_NATIVE_DOUBLE,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank (5)
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call H5Dwrite_f(dset_id, H5T_NATIVE_DOUBLE,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank (6)
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call H5Dwrite_f(dset_id, H5T_NATIVE_DOUBLE,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank (7)
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call H5Dwrite_f(dset_id, H5T_NATIVE_DOUBLE,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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end select
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if(hdferr < 0) error stop 'HDF5 error'
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end if
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call finalize_write(plist_id, dset_id, filespace_id, memspace_id)
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end subroutine HDF5_write_real
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#endif
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief Write dataset of type string (scalar).
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!> @brief Write dataset of type string (scalar).
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@ -1561,6 +1631,7 @@ subroutine HDF5_write_str(dataset,loc_id,datasetName)
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end subroutine HDF5_write_str
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end subroutine HDF5_write_str
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#if defined(__GFORTRAN__) && __GNUC__<11
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief write dataset of type integer with 1 dimension
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!> @brief write dataset of type integer with 1 dimension
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@ -1849,6 +1920,70 @@ subroutine HDF5_write_int7(dataset,loc_id,datasetName,parallel)
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end subroutine HDF5_write_int7
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end subroutine HDF5_write_int7
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#else
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!--------------------------------------------------------------------------------------------------
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!> @brief write dataset of type integer with 1-7 dimension
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!--------------------------------------------------------------------------------------------------
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subroutine HDF5_write_int(dataset,loc_id,datasetName,parallel)
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integer, intent(in), dimension(..) :: dataset !< data written to file
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integer(HID_T), intent(in) :: loc_id !< file or group handle
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character(len=*), intent(in) :: datasetName !< name of the dataset in the file
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logical, intent(in), optional :: parallel !< dataset is distributed over multiple processes
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integer :: hdferr
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integer(HID_T) :: dset_id, filespace_id, memspace_id, plist_id
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integer(HSIZE_T), dimension(rank(dataset)) :: &
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myStart, &
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myShape, & !< shape of the dataset (this process)
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totalShape !< shape of the dataset (all processes)
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!---------------------------------------------------------------------------------------------------
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! determine shape of dataset
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myShape = int(shape(dataset),HSIZE_T)
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if (any(myShape(1:size(myShape)-1) == 0)) return !< empty dataset (last dimension can be empty)
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if (present(parallel)) then
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call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
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myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel)
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else
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call initialize_write(dset_id, filespace_id, memspace_id, plist_id, &
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myStart, totalShape, loc_id,myShape,datasetName,H5T_NATIVE_INTEGER,parallel_default)
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end if
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if (product(totalShape) /= 0) then
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select rank(dataset)
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rank(1)
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call H5Dwrite_f(dset_id, H5T_NATIVE_INTEGER,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank(2)
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call H5Dwrite_f(dset_id, H5T_NATIVE_INTEGER,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank(3)
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call H5Dwrite_f(dset_id, H5T_NATIVE_INTEGER,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank(4)
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call H5Dwrite_f(dset_id, H5T_NATIVE_INTEGER,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank(5)
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call H5Dwrite_f(dset_id, H5T_NATIVE_INTEGER,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank(6)
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call H5Dwrite_f(dset_id, H5T_NATIVE_INTEGER,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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rank(7)
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call H5Dwrite_f(dset_id, H5T_NATIVE_INTEGER,dataset,int(totalShape,HSIZE_T), hdferr,&
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file_space_id = filespace_id, mem_space_id = memspace_id, xfer_prp = plist_id)
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end select
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if(hdferr < 0) error stop 'HDF5 error'
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end if
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call finalize_write(plist_id, dset_id, filespace_id, memspace_id)
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end subroutine HDF5_write_int
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#endif
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!--------------------------------------------------------------------------------------------------
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!--------------------------------------------------------------------------------------------------
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!> @brief initialize HDF5 handles, determines global shape and start for parallel read
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!> @brief initialize HDF5 handles, determines global shape and start for parallel read
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@ -658,11 +658,7 @@ function om2ax(om) result(ax)
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else
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else
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call dgeev('N','V',3,om_,3,Wr,Wi,devNull,3,VR,3,work,size(work,1),ierr)
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call dgeev('N','V',3,om_,3,Wr,Wi,devNull,3,VR,3,work,size(work,1),ierr)
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if (ierr /= 0) error stop 'LAPACK error'
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if (ierr /= 0) error stop 'LAPACK error'
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#if defined(__GFORTRAN__) && __GNUC__<9
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i = maxloc(merge(1,0,cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal)),dim=1)
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#else
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i = findloc(cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal),.true.,dim=1) !find eigenvalue (1,0)
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i = findloc(cEq(cmplx(Wr,Wi,pReal),cmplx(1.0_pReal,0.0_pReal,pReal),tol=1.0e-14_pReal),.true.,dim=1) !find eigenvalue (1,0)
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#endif
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if (i == 0) error stop 'om2ax conversion failed'
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if (i == 0) error stop 'om2ax conversion failed'
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ax(1:3) = VR(1:3,i)
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ax(1:3) = VR(1:3,i)
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where ( dNeq0([om(2,3)-om(3,2), om(3,1)-om(1,3), om(1,2)-om(2,1)])) &
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where ( dNeq0([om(2,3)-om(3,2), om(3,1)-om(1,3), om(1,2)-om(2,1)])) &
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@ -1427,10 +1423,6 @@ subroutine selfTest()
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do i = 1, 20
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do i = 1, 20
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#if defined(__GFORTRAN__) && __GNUC__<9
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if(i<7) cycle
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#endif
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if(i==1) then
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if(i==1) then
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qu = om2qu(math_I3)
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qu = om2qu(math_I3)
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elseif(i==2) then
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elseif(i==2) then
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