Fix hdf5 source_bank struct size. (#3676)

include/openmc/bank_io.h

@@ -16,8 +16,9 @@
 namespace openmc {
 
 template<typename SiteType>
-void write_bank_dataset(const char* dataset_name, hid_t group_id,
-  span<SiteType> bank, const vector<int64_t>& bank_index, hid_t banktype
+void write_bank_dataset(
+  const char* dataset_name, hid_t group_id, span<SiteType> bank,
+  const vector<int64_t>& bank_index, hid_t membanktype, hid_t filebanktype
 #ifdef OPENMC_MPI
   ,
   MPI_Datatype mpi_dtype
@@ -30,8 +31,8 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
 #ifdef PHDF5
   hsize_t dims[] {static_cast<hsize_t>(dims_size)};
   hid_t dspace = H5Screate_simple(1, dims, nullptr);
-  hid_t dset = H5Dcreate(group_id, dataset_name, banktype, dspace, H5P_DEFAULT,
-    H5P_DEFAULT, H5P_DEFAULT);
+  hid_t dset = H5Dcreate(group_id, dataset_name, filebanktype, dspace,
+    H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
 
   hsize_t count[] {static_cast<hsize_t>(count_size)};
   hid_t memspace = H5Screate_simple(1, count, nullptr);
@@ -42,7 +43,7 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
   hid_t plist = H5Pcreate(H5P_DATASET_XFER);
   H5Pset_dxpl_mpio(plist, H5FD_MPIO_COLLECTIVE);
 
-  H5Dwrite(dset, banktype, memspace, dspace, plist, bank.data());
+  H5Dwrite(dset, membanktype, memspace, dspace, plist, bank.data());
 
   H5Sclose(dspace);
   H5Sclose(memspace);
@@ -52,7 +53,7 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
   if (mpi::master) {
     hsize_t dims[] {static_cast<hsize_t>(dims_size)};
     hid_t dspace = H5Screate_simple(1, dims, nullptr);
-    hid_t dset = H5Dcreate(group_id, dataset_name, banktype, dspace,
+    hid_t dset = H5Dcreate(group_id, dataset_name, filebanktype, dspace,
       H5P_DEFAULT, H5P_DEFAULT, H5P_DEFAULT);
 
 #ifdef OPENMC_MPI
@@ -75,7 +76,8 @@ void write_bank_dataset(const char* dataset_name, hid_t group_id,
       H5Sselect_hyperslab(
         dspace_rank, H5S_SELECT_SET, start, nullptr, count, nullptr);
 
-      H5Dwrite(dset, banktype, memspace, dspace_rank, H5P_DEFAULT, bank.data());
+      H5Dwrite(
+        dset, membanktype, memspace, dspace_rank, H5P_DEFAULT, bank.data());
 
       H5Sclose(memspace);
       H5Sclose(dspace_rank);

src/collision_track.cpp

@@ -78,10 +78,10 @@ void write_collision_track_bank(hid_t group_id,
   hid_t banktype = h5_collision_track_banktype();
 #ifdef OPENMC_MPI
   write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
-    bank_index, banktype, mpi::collision_track_site);
+    bank_index, banktype, banktype, mpi::collision_track_site);
 #else
   write_bank_dataset("collision_track_bank", group_id, collision_track_bank,
-    bank_index, banktype);
+    bank_index, banktype, banktype);
 #endif
 
   H5Tclose(banktype);

src/state_point.cpp

@@ -554,7 +554,7 @@ extern "C" int openmc_statepoint_load(const char* filename)
   return 0;
 }
 
-hid_t h5banktype()
+hid_t h5banktype(bool memory)
 {
   // Create compound type for position
   hid_t postype = H5Tcreate(H5T_COMPOUND, sizeof(struct Position));
@@ -569,7 +569,10 @@ hid_t h5banktype()
   // - openmc/statepoint.py
   // - docs/source/io_formats/statepoint.rst
   // - docs/source/io_formats/source.rst
-  hid_t banktype = H5Tcreate(H5T_COMPOUND, sizeof(struct SourceSite));
+  auto n = sizeof(SourceSite);
+  if (!memory)
+    n = 2 * sizeof(struct Position) + 3 * sizeof(double) + 3 * sizeof(int);
+  hid_t banktype = H5Tcreate(H5T_COMPOUND, n);
   H5Tinsert(banktype, "r", HOFFSET(SourceSite, r), postype);
   H5Tinsert(banktype, "u", HOFFSET(SourceSite, u), postype);
   H5Tinsert(banktype, "E", HOFFSET(SourceSite, E), H5T_NATIVE_DOUBLE);
@@ -641,17 +644,19 @@ void write_h5_source_point(const char* filename, span<SourceSite> source_bank,
 void write_source_bank(hid_t group_id, span<SourceSite> source_bank,
   const vector<int64_t>& bank_index)
 {
-  hid_t banktype = h5banktype();
+  hid_t membanktype = h5banktype(true);
+  hid_t filebanktype = h5banktype(false);
 
 #ifdef OPENMC_MPI
-  write_bank_dataset("source_bank", group_id, source_bank, bank_index, banktype,
-    mpi::source_site);
+  write_bank_dataset("source_bank", group_id, source_bank, bank_index,
+    membanktype, filebanktype, mpi::source_site);
 #else
-  write_bank_dataset(
-    "source_bank", group_id, source_bank, bank_index, banktype);
+  write_bank_dataset("source_bank", group_id, source_bank, bank_index,
+    membanktype, filebanktype);
 #endif
 
-  H5Tclose(banktype);
+  H5Tclose(membanktype);
+  H5Tclose(filebanktype);
 }
 
 // Determine member names of a compound HDF5 datatype
@@ -672,7 +677,7 @@ std::string dtype_member_names(hid_t dtype_id)
 void read_source_bank(
   hid_t group_id, vector<SourceSite>& sites, bool distribute)
 {
-  hid_t banktype = h5banktype();
+  hid_t banktype = h5banktype(true);
 
   // Open the dataset
   hid_t dset = H5Dopen(group_id, "source_bank", H5P_DEFAULT);