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| sc::R12IntsAcc_MPIIOFile(3) | MPQC | sc::R12IntsAcc_MPIIOFile(3) |
NAME
sc::R12IntsAcc_MPIIOFileSYNOPSIS
Inherits sc::R12IntsAcc.
Inherited by sc::R12IntsAcc_MPIIOFile_Ind.
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
Member Function Documentation
void sc::R12IntsAcc_MPIIOFile::activate () [virtual]
Call when ready to read content.Reimplemented from sc::R12IntsAcc.
bool sc::R12IntsAcc_MPIIOFile::can_restart () const [inline], [virtual]
Can restart MPI-IO-based accumulator.Implements sc::R12IntsAcc.
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::deactivate () [virtual]
Done reading content - activate the associated MemoryGrp This is a collective operation.Reimplemented from sc::R12IntsAcc.
bool sc::R12IntsAcc_MPIIOFile::has_access (int proc) const [inline], [virtual]
Does this task have access to all the integrals?Implements sc::R12IntsAcc.
bool sc::R12IntsAcc_MPIIOFile::is_avail (int i, int j) const [inline], [virtual]
In this implementation blocks are available everywhere.Implements sc::R12IntsAcc.
bool sc::R12IntsAcc_MPIIOFile::is_local (int i, int j) const [inline], [virtual]
Is this block stored locally?Implements sc::R12IntsAcc.
int sc::R12IntsAcc_MPIIOFile::ntasks () const [inline], [protected], [virtual]
total number of tasksImplements sc::R12IntsAcc.
void sc::R12IntsAcc_MPIIOFile::release_pair_block (int i, int j, tbint_type oper_type) [virtual]
Releases an ij pair block of integrals.Implements 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.
void sc::R12IntsAcc_MPIIOFile::store_pair_block (int i, int j, double * ints) [virtual]
Stores an ij pair block of integrals to the file.Implements sc::R12IntsAcc.
int sc::R12IntsAcc_MPIIOFile::taskid () const [inline], [protected], [virtual]
ID of this task.Implements sc::R12IntsAcc.
Author
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