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Add coefficients I/O to HDF5

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q-posev 2022-04-15 11:41:34 +02:00
parent 42ae31a4d1
commit d80fb125b9
1 changed files with 113 additions and 0 deletions
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113
src/templates_hdf5/templator_hdf5.org
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@ -985,6 +985,9 @@ trexio_hdf5_delete_$group$ (trexio_t* const file)
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);
trexio_exit_code trexio_hdf5_has_determinant_coefficient(trexio_t* const file);
trexio_exit_code trexio_hdf5_read_determinant_coefficient(trexio_t* const file, const int64_t offset_file, const uint32_t rank, const uint64_t* dims, int64_t* const eof_read_size, double* const coeff);
trexio_exit_code trexio_hdf5_write_determinant_coefficient(trexio_t* const file, const int64_t offset_file, const uint32_t rank, const uint64_t* dims, const double* coeff);
#+end_src
#+begin_src c :tangle read_determinant_hdf5.c
@ -997,6 +1000,7 @@ trexio_exit_code trexio_hdf5_read_determinant_list(trexio_t* const file,
{
if (file == NULL) return TREXIO_INVALID_ARG_1;
if (eof_read_size == NULL) return TREXIO_INVALID_ARG_5;
if (list == NULL) return TREXIO_INVALID_ARG_6;
const trexio_hdf5_t* f = (const trexio_hdf5_t*) file;
@ -1009,6 +1013,37 @@ trexio_exit_code trexio_hdf5_read_determinant_list(trexio_t* const file,
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, (uint32_t) dims[1], offset, count, eof_read_size, 0, list);
}
trexio_exit_code trexio_hdf5_read_determinant_coefficient(trexio_t* const file,
const int64_t offset_file,
const uint32_t rank,
const uint64_t* dims,
int64_t* const eof_read_size,
double* const coeff)
{
if (file == NULL) return TREXIO_INVALID_ARG_1;
if (eof_read_size == NULL) return TREXIO_INVALID_ARG_5;
if (coeff == NULL) return TREXIO_INVALID_ARG_6;
char dset_coeff_name[128];
memset(dset_coeff_name, 0, sizeof(dset_coeff_name));
const int32_t trexio_state = file->state;
if (trexio_state != 0) {
sprintf(dset_coeff_name, "determinant_coefficient_state_%" PRId32, trexio_state);
} else {
strncpy(dset_coeff_name, "determinant_coefficient", 24);
}
const trexio_hdf5_t* f = (const trexio_hdf5_t*) file;
hsize_t offset[1] = {(hsize_t) offset_file};
hsize_t count[1] = {(hsize_t) dims[0]};
/* 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_coeff_name, 1, offset, count, eof_read_size, 0, coeff);
}
#+end_src
#+begin_src c :tangle write_determinant_hdf5.c
@ -1020,6 +1055,7 @@ trexio_exit_code trexio_hdf5_write_determinant_list(trexio_t* const file,
{
if (file == NULL) return TREXIO_INVALID_ARG_1;
if (list == NULL) return TREXIO_INVALID_ARG_5;
trexio_hdf5_t* f = (trexio_hdf5_t*) file;
@ -1053,6 +1089,55 @@ trexio_exit_code trexio_hdf5_write_determinant_list(trexio_t* const file,
return TREXIO_SUCCESS;
}
trexio_exit_code trexio_hdf5_write_determinant_coefficient(trexio_t* const file,
const int64_t offset_file,
const uint32_t rank,
const uint64_t* dims,
const double* coeff)
{
if (file == NULL) return TREXIO_INVALID_ARG_1;
if (coeff == NULL) return TREXIO_INVALID_ARG_5;
char dset_coeff_name[128];
memset(dset_coeff_name, 0, sizeof(dset_coeff_name));
const int32_t trexio_state = file->state;
if (trexio_state != 0) {
sprintf(dset_coeff_name, "determinant_coefficient_state_%" PRId32, trexio_state);
} else {
strncpy(dset_coeff_name, "determinant_coefficient", 24);
}
trexio_hdf5_t* f = (trexio_hdf5_t*) file;
hid_t det_dtype = H5T_NATIVE_DOUBLE;
/* Arrays of chunk dims that will be used for chunking the dataset */
const hsize_t chunk_dims[1] = {(hsize_t) dims[0]};
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_coeff_name) != 1 ) {
/* If the file does not exist -> create it and write */
/* Create chunked dataset with det_dtype datatype and write indices into it */
rc_write = trexio_hdf5_create_write_dset_sparse(f->determinant_group, dset_coeff_name, det_dtype, chunk_dims, coeff);
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};
/* Create chunked dataset with det_dtype datatype and write indices into it */
rc_write = trexio_hdf5_open_write_dset_sparse(f->determinant_group, dset_coeff_name, det_dtype, chunk_dims, offset_data, coeff);
if (rc_write != TREXIO_SUCCESS) return rc_write;
}
return TREXIO_SUCCESS;
}
#+end_src
#+begin_src c :tangle has_determinant_hdf5.c
@ -1072,6 +1157,33 @@ trexio_exit_code trexio_hdf5_has_determinant_list(trexio_t* const file)
return TREXIO_FAILURE;
}
}
trexio_exit_code trexio_hdf5_has_determinant_coefficient(trexio_t* const file)
{
if (file == NULL) return TREXIO_INVALID_ARG_1;
char dset_coeff_name[128];
memset(dset_coeff_name, 0, sizeof(dset_coeff_name));
const int32_t trexio_state = file->state;
if (trexio_state != 0) {
sprintf(dset_coeff_name, "determinant_coefficient_state_%" PRId32, trexio_state);
} else {
strncpy(dset_coeff_name, "determinant_coefficient", 24);
}
trexio_hdf5_t* f = (trexio_hdf5_t*) file;
herr_t status = H5LTfind_dataset(f->determinant_group, dset_coeff_name);
/* 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
@ -1219,6 +1331,7 @@ trexio_hdf5_open_read_dset_sparse (const hid_t group_id,
)
{
const int h5_rank = 1;
if (dset_rank == 0) return TREXIO_INVALID_ARG_3;
// get the dataset handle
hid_t dset_id = H5Dopen(group_id, dset_name, H5P_DEFAULT);