table of contents
sc::R12IntsAcc_MPIIOFile(3) | MPQC | sc::R12IntsAcc_MPIIOFile(3) |
NAME¶
sc::R12IntsAcc_MPIIOFile
SYNOPSIS¶
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::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.
Author¶
Generated automatically by Doxygen for MPQC from the source code.
Sun Oct 4 2020 | Version 2.3.1 |