Classes | |
| struct | PairBlkInfo |
Public Member Functions | |
| R12IntsAcc_MPIIOFile (Ref< MemoryGrp > &mem, const char *filename, int num_te_types, int ni, int nj, int nx, int ny) | |
| R12IntsAcc_MPIIOFile (StateIn &) | |
| void | save_data_state (StateOut &) |
| Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them. | |
| void | store_pair_block (int i, int j, double *ints) |
| Stores an ij pair block of integrals to the file. | |
| void | commit () |
| Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator. | |
| void | activate () |
| Call when ready to read content. | |
| void | deactivate () |
| Done reading content - activate the associated MemoryGrp This is a collective operation. | |
| void | release_pair_block (int i, int j, tbint_type oper_type) |
| Releases an ij pair block of integrals. | |
| bool | is_local (int i, int j) const |
| Is this block stored locally? | |
| bool | is_avail (int i, int j) const |
| In this implementation blocks are available everywhere. | |
| bool | has_access (int proc) const |
| Does this task have access to all the integrals? | |
| bool | can_restart () const |
| Can restart MPI-IO-based accumulator. | |
| int | ij_index (int i, int j) const |
Protected Member Functions | |
| void | check_error_code_ (int errcod) const |
| Utility function to check MPI I/O error codes. | |
| void | init (bool restart) |
| int | ntasks () const |
| total number of tasks | |
| int | taskid () const |
| ID of this task. | |
Protected Attributes | |
| Ref< MemoryGrp > | mem_ |
| int | nproc_ |
| size_t | nints_per_block_ |
| char * | filename_ |
| MPI_File | datafile_ |
|
struct sc::R12IntsAcc_MPIIOFile::PairBlkInfo * | pairblk_ |
| void sc::R12IntsAcc_MPIIOFile::commit | ( | ) | [virtual] |
Commit the content of the accumulator for reading - deactivate the associated MemoryGrp and activate the accumulator.
This is a collective operation.
Reimplemented from sc::R12IntsAcc.
| void sc::R12IntsAcc_MPIIOFile::save_data_state | ( | StateOut & | ) | [virtual] |
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR initializes them.
This must be implemented by the derived class if the class has data.
Reimplemented from sc::R12IntsAcc.
Reimplemented in sc::R12IntsAcc_MPIIOFile_Ind.