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_

Additional Inherited Members¶

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.