28#ifndef _chemistry_qc_mbptr12_r12ia_memgrp_h
29#define _chemistry_qc_mbptr12_r12ia_memgrp_h
35#include <util/ref/ref.h>
36#include <util/group/memory.h>
37#include <chemistry/qc/mbptr12/r12ia.h>
49class R12IntsAcc_MemoryGrp:
public R12IntsAcc {
53 size_t blksize_memgrp_;
56 double *ints_[max_num_te_types_];
57 int refcount_[max_num_te_types_];
64 int ntasks()
const {
return mem_->n(); }
66 int taskid()
const {
return mem_->me(); }
71 ~R12IntsAcc_MemoryGrp();
90 bool is_local(
int i,
int j)
const {
return (ij_proc(i,j) == mem_->me());};
92 bool is_avail(
int i,
int j)
const {
return true;};
99 int ij_index(
int i,
int j)
const {
return i*nj_ + j; };
100 int ij_proc(
int i,
int j)
const {
return ij_index(i,j)%nproc_;};
void release_pair_block(int i, int j, tbint_type oper_type)
Releases an ij pair block of integrals (if needed)
void store_memorygrp(Ref< MemoryGrp > &mem, int ni, const size_t blksize)
Stores all pair block of integrals held in mem mem must be the same as mem_ used to construct this Th...
bool is_avail(int i, int j) const
In this implementation all blocks are globally available.
Definition r12ia_memgrp.h:92
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
bool has_access(int proc) const
Does this task have access to all the integrals?
Definition r12ia_memgrp.h:94
void deactivate()
Done reading content - call set_localsize(0) on the associated MemoryGrp This is a collective operati...
void store_pair_block(int i, int j, double *ints)
Stores an ij pair block of integrals (assumes the block resides locally)
bool is_local(int i, int j) const
Is this block stored locally?
Definition r12ia_memgrp.h:90
double * retrieve_pair_block(int i, int j, tbint_type oper_type)
Retrieves an ij pair block of integrals.
bool can_restart() const
Cannot restart MemoryGrp-based accumulator.
Definition r12ia_memgrp.h:96
tbint_type
Types of two-body operators that R12IntsAcc understands.
Definition r12ia.h:99
int ny() const
Rank of index space y.
Definition r12ia.h:111
int num_te_types() const
The number of types of integrals that are being handled together.
Definition r12ia.h:103
int nx() const
Rank of index space x.
Definition r12ia.h:109
int ni() const
Rank of index space i.
Definition r12ia.h:105
int nj() const
Rank of index space j.
Definition r12ia.h:107
A template class that maintains references counts.
Definition ref.h:332
Restores objects that derive from SavableState.
Definition statein.h:70
Serializes objects that derive from SavableState.
Definition stateout.h:61