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read dim variable of sparse dset to compress storage of indices in HDF5

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This commit is contained in:
q-posev 2021-12-14 18:03:51 +01:00
parent a8b251d820
commit 2e99a14b6e
2 changed files with 13 additions and 3 deletions
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12
src/templates_front/templator_front.org
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@ -2445,6 +2445,10 @@ trexio_read_$group_dset$(trexio_t* const file,
rc = trexio_read_$group_dset$_size(file, &size_max);
if (rc != TREXIO_SUCCESS) return rc;
int64_t num;
rc = trexio_read_$group_dset_sparse_dim$_64(file, &num);
if (rc != TREXIO_SUCCESS) return rc;
// introduce a new variable which will be modified with the number of integrals being read if EOF is encountered
uint64_t eof_read_size = 0UL;
@ -2456,7 +2460,7 @@ trexio_read_$group_dset$(trexio_t* const file,
case TREXIO_HDF5:
#ifdef HAVE_HDF5
rc = trexio_hdf5_read_$group_dset$(file, offset_file, buffer_size, size_max, &eof_read_size, index_sparse, value_sparse);
rc = trexio_hdf5_read_$group_dset$(file, offset_file, buffer_size, num, &eof_read_size, index_sparse, value_sparse);
break;
#else
rc = TREXIO_BACK_END_MISSING;
@ -2543,6 +2547,10 @@ trexio_write_$group_dset$(trexio_t* const file,
if (rc != TREXIO_SUCCESS && rc != TREXIO_DSET_MISSING) return rc;
if (rc == TREXIO_DSET_MISSING) size_max = 0L;
int64_t num;
rc = trexio_read_$group_dset_sparse_dim$_64(file, &num);
if (rc != TREXIO_SUCCESS) return rc;
int32_t* index_sparse_p = (int32_t*) index_sparse;
// shift indices to be zero-based if Fortran API is used
if (file->one_based) {
@ -2565,7 +2573,7 @@ trexio_write_$group_dset$(trexio_t* const file,
case TREXIO_HDF5:
#ifdef HAVE_HDF5
rc = trexio_hdf5_write_$group_dset$(file, offset_file, buffer_size, size_max, index_sparse_p, value_sparse);
rc = trexio_hdf5_write_$group_dset$(file, offset_file, buffer_size, num, index_sparse_p, value_sparse);
break;
#else
rc = TREXIO_BACK_END_MISSING;

4
tools/generator_tools.py
View File

@ -107,7 +107,7 @@ def recursive_populate_file(fname: str, paths: dict, detailed_source: dict) -> N
'group_num_f_dtype_default', 'group_num_f_dtype_double', 'group_num_f_dtype_single',
'group_num_dtype_default', 'group_num_dtype_double', 'group_num_dtype_single',
'group_num_h5_dtype', 'group_num_py_dtype',
'group_dset_format_scanf', 'group_dset_format_printf',
'group_dset_format_scanf', 'group_dset_format_printf', 'group_dset_sparse_dim',
'group_dset_sparse_line_length', 'group_dset_sparse_indices_printf', 'group_dset_sparse_indices_scanf',
'group_dset', 'group_num', 'group_str', 'group']
@ -707,6 +707,8 @@ def split_dset_dict_detailed (datasets: dict) -> tuple:
tmp_dict['group_dset_f_dims'] = dim_f_list
if is_sparse:
# store the max possible dim of the sparse dset (e.g. mo_num)
tmp_dict['group_dset_sparse_dim'] = tmp_dict['dims'][0]
# build printf/scanf sequence and compute line length for n-index sparse quantity
index_printf = f'*(index_sparse + {str(rank)}*i'
index_scanf = f'index_sparse + {str(rank)}*i'