mirror of
https://github.com/TREX-CoE/trexio.git
synced 2024-08-25 06:31:43 +02:00
Implement HDF5 functions for determinant_list I/O
This commit is contained in:
parent
a3f70336d7
commit
ac41cd6080
@ -975,6 +975,105 @@ trexio_hdf5_delete_$group$ (trexio_t* const file)
|
||||
}
|
||||
#+end_src
|
||||
|
||||
* Source code for the determinant part
|
||||
|
||||
Each array is stored in a separate HDF5 dataset due to the fact that determinant I/O has to be decoupled.
|
||||
Chunks are used to read/write the data to prevent memory overflow. Chunks have a given ~int64_t dims[0]*dims[1]~.
|
||||
Size specifies the number of data items (e.g. determinants) to process.
|
||||
|
||||
#+begin_src c :tangle hrw_determinant_hdf5.h :exports none
|
||||
trexio_exit_code trexio_hdf5_has_determinant_list(trexio_t* const file);
|
||||
trexio_exit_code trexio_hdf5_read_determinant_list(trexio_t* const file, const int64_t offset_file, const uint32_t rank, const uint64_t* dims, int64_t* const eof_read_size, int64_t* const list);
|
||||
trexio_exit_code trexio_hdf5_write_determinant_list(trexio_t* const file, const int64_t offset_file, const uint32_t rank, const uint64_t* dims, const int64_t* list);
|
||||
#+end_src
|
||||
|
||||
#+begin_src c :tangle read_determinant_hdf5.c
|
||||
trexio_exit_code trexio_hdf5_read_determinant_list(trexio_t* const file,
|
||||
const int64_t offset_file,
|
||||
const uint32_t rank,
|
||||
const uint64_t* dims,
|
||||
int64_t* const eof_read_size,
|
||||
int64_t* const list)
|
||||
{
|
||||
if (file == NULL) return TREXIO_INVALID_ARG_1;
|
||||
if (eof_read_size == NULL) return TREXIO_INVALID_ARG_5;
|
||||
|
||||
const trexio_hdf5_t* f = (const trexio_hdf5_t*) file;
|
||||
|
||||
char dset_det_name[256] = "determinant_list";
|
||||
|
||||
hsize_t offset[1] = {(hsize_t) offset_file * dims[1]};
|
||||
hsize_t count[1] = {(hsize_t) dims[0] * dims[1]};
|
||||
|
||||
/* Attempt to read determinants (if EOF -> eof_read_size is modified with the number of elements read and return code is TREXIO_END)
|
||||
0 argument below is requires to skip internal treatment specific to sparse indices (i.e. their de-compression).*/
|
||||
return trexio_hdf5_open_read_dset_sparse(f->determinant_group, dset_det_name, offset, count, eof_read_size, 0, list);
|
||||
}
|
||||
#+end_src
|
||||
|
||||
#+begin_src c :tangle write_determinant_hdf5.c
|
||||
trexio_exit_code trexio_hdf5_write_determinant_list(trexio_t* const file,
|
||||
const int64_t offset_file,
|
||||
const uint32_t rank,
|
||||
const uint64_t* dims,
|
||||
const int64_t* list)
|
||||
{
|
||||
|
||||
if (file == NULL) return TREXIO_INVALID_ARG_1;
|
||||
|
||||
trexio_hdf5_t* f = (trexio_hdf5_t*) file;
|
||||
|
||||
hid_t det_dtype = H5T_NATIVE_INT64;
|
||||
uint64_t size_ranked = dims[1]*dims[0];
|
||||
|
||||
/* Arrays of chunk dims that will be used for chunking the dataset */
|
||||
const hsize_t chunk_dims[1] = {size_ranked};
|
||||
|
||||
/* Indices and values are stored as 2 independent datasets in the HDF5 file */
|
||||
char dset_det_name[256] = "determinant_list";
|
||||
|
||||
trexio_exit_code rc_write = TREXIO_FAILURE;
|
||||
/* NOTE: chunk size is set upon creation of the HDF5 dataset and cannot be changed ! */
|
||||
if ( H5LTfind_dataset(f->determinant_group, dset_det_name) != 1 ) {
|
||||
/* If the file does not exist -> create it and write */
|
||||
|
||||
/* Create chunked dataset with index_dtype datatype and write indices into it */
|
||||
rc_write = trexio_hdf5_create_write_dset_sparse(f->determinant_group, dset_det_name, index_dtype, chunk_dims, list);
|
||||
if (rc_write != TREXIO_SUCCESS) return rc_write;
|
||||
|
||||
} else {
|
||||
/* If the file exists -> open it and write */
|
||||
hsize_t offset_data[1] = {(hsize_t) offset_file * dims[1]};
|
||||
|
||||
/* Create chunked dataset with index_dtype datatype and write indices into it */
|
||||
rc_write = trexio_hdf5_open_write_dset_sparse(f->determinant_group, dset_det_name, det_dtype, chunk_dims, offset_data, list);
|
||||
if (rc_write != TREXIO_SUCCESS) return rc_write;
|
||||
|
||||
}
|
||||
|
||||
return TREXIO_SUCCESS;
|
||||
}
|
||||
#+end_src
|
||||
|
||||
#+begin_src c :tangle has_determinant_hdf5.c
|
||||
trexio_exit_code trexio_hdf5_has_determinant_list(trexio_t* const file)
|
||||
{
|
||||
if (file == NULL) return TREXIO_INVALID_ARG_1;
|
||||
|
||||
trexio_hdf5_t* f = (trexio_hdf5_t*) file;
|
||||
|
||||
herr_t status = H5LTfind_dataset(f->determinant_group, "determinant_list");
|
||||
/* H5LTfind_dataset returns 1 if dataset exists, 0 otherwise */
|
||||
if (status == 1){
|
||||
return TREXIO_SUCCESS;
|
||||
} else if (status == 0) {
|
||||
return TREXIO_HAS_NOT;
|
||||
} else {
|
||||
return TREXIO_FAILURE;
|
||||
}
|
||||
}
|
||||
#+end_src
|
||||
|
||||
* Helper functions
|
||||
|
||||
#+begin_src c :tangle helpers_hdf5.c
|
||||
|
Loading…
Reference in New Issue
Block a user