MPQC  3.0.0-alpha
distarray4_node0file.h
1 //
2 // distarray4_node0file.h
3 //
4 // Copyright (C) 2002 Edward Valeev
5 //
6 // Author: Edward Valeev <evaleev@vt.edu>
7 // Maintainer: EV
8 //
9 // This file is part of the SC Toolkit.
10 //
11 // The SC Toolkit is free software; you can redistribute it and/or modify
12 // it under the terms of the GNU Library General Public License as published by
13 // the Free Software Foundation; either version 2, or (at your option)
14 // any later version.
15 //
16 // The SC Toolkit is distributed in the hope that it will be useful,
17 // but WITHOUT ANY WARRANTY; without even the implied warranty of
18 // MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE. See the
19 // GNU Library General Public License for more details.
20 //
21 // You should have received a copy of the GNU Library General Public License
22 // along with the SC Toolkit; see the file COPYING.LIB. If not, write to
23 // the Free Software Foundation, 675 Mass Ave, Cambridge, MA 02139, USA.
24 //
25 // The U.S. Government is granted a limited license as per AL 91-7.
26 //
27 
28 #ifndef _chemistry_qc_mbptr12_distarray4_node0file_h
29 #define _chemistry_qc_mbptr12_distarray4_node0file_h
30 
31 #include <unistd.h>
32 #include <util/ref/ref.h>
33 #include <util/group/memory.h>
34 #include <util/misc/registry.h>
35 #include <math/distarray4/distarray4.h>
36 
37 namespace sc {
38 
40 
53 
54  char *filename_;
55  int datafile_;
56 
57  // keep track of clones of this object to be able to create unique names
59  Ref<ListOfClones> clonelist_;
60  void set_clonelist(const Ref<ListOfClones>& cl);
61 
62  struct PairBlkInfo {
63  // mutable since this data is only cached. offset is the only real data.
64  mutable double* ints_[max_num_te_types]; // blocks corresponding to each operator type
65  mutable bool manage_[max_num_te_types]; // is the buffer managed by me?
66  mutable int refcount_[max_num_te_types]; // number of references
67  off_t offset_; // location in file (in bytes)
68  };
69  PairBlkInfo* pairblk_;
70 
72  void init(bool restart);
73  // Check if the file operation went OK
74  void check_filedescr_();
75  // Utility functions
76  int ij_proc(int i, int j) const { return 0;};
77 
78  public:
79  DistArray4_Node0File(const char *filename, int num_te_types, int ni, int nj, int nx, int ny,
80  DistArray4Storage storage = DistArray4Storage_XY);
84 
85  Ref<DistArray4> clone(const DistArray4Dimensions& dim = DistArray4Dimensions::default_dim());
86 
88  void activate();
90  void deactivate();
92  bool data_persistent() const { return true; }
93 
94  void store_pair_block(int i, int j, tbint_type oper_type, const double* ints);
95  void store_pair_subblock(int i, int j, tbint_type oper_type,
96  int xstart, int xfence, int ystart, int yfence,
97  const double* ints);
98  const double* retrieve_pair_block(int i, int j, tbint_type oper_type, double* buf = 0) const;
99  void retrieve_pair_subblock(int i, int j, tbint_type oper_type,
100  int xstart, int xfence, int ystart, int yfence,
101  double* buf) const;
103  void release_pair_block(int i, int j, tbint_type oper_type) const;
104 
106  bool is_local(int i, int j) const { return (me() == 0);};
108  bool is_avail(int i, int j) const { return (me() == 0);};
110  bool has_access(int proc) const { return (proc == 0);};
111 };
112 
113 }
114 
115 #endif
116 
117 // Local Variables:
118 // mode: c++
119 // c-file-style: "CLJ"
120 // End:
sc::DistArray4::nj
int nj() const
Rank of index space j.
Definition: distarray4.h:116
sc::DistArray4_Node0File::clone
Ref< DistArray4 > clone(const DistArray4Dimensions &dim=DistArray4Dimensions::default_dim())
how to clone.
sc::DistArray4_Node0File::retrieve_pair_subblock
void retrieve_pair_subblock(int i, int j, tbint_type oper_type, int xstart, int xfence, int ystart, int yfence, double *buf) const
Retrieves a rectangular subblock of ij block of integrals.
sc::DistArray4
DistArray4 contains a set of one or more distributed dense 4-index arrays.
Definition: distarray4.h:94
sc::DistArray4::num_te_types
int num_te_types() const
The number of types of integrals that are being handled together.
Definition: distarray4.h:112
sc::DistArray4_Node0File::store_pair_block
void store_pair_block(int i, int j, tbint_type oper_type, const double *ints)
Stores an ij pair block of integrals.
sc::Ref
A template class that maintains references counts.
Definition: ref.h:361
sc::DistArray4_Node0File::has_access
bool has_access(int proc) const
Does this task have access to all the integrals?
Definition: distarray4_node0file.h:110
sc::DistArray4::me
int me() const
rank of this task
Definition: distarray4.h:200
sc::DistArray4_Node0File::save_data_state
void save_data_state(StateOut &)
Save the base classes (with save_data_state) and the members in the same order that the StateIn CTOR ...
sc::DistArray4::ny
int ny() const
Rank of index space y.
Definition: distarray4.h:120
sc::DistArray4_Node0File::store_pair_subblock
void store_pair_subblock(int i, int j, tbint_type oper_type, int xstart, int xfence, int ystart, int yfence, const double *ints)
Stores an rectangular subblock of ij block of integrals.
sc::StateIn
Definition: statein.h:79
sc::DistArray4_Node0File::deactivate
void deactivate()
implementation of DistArray4::deactivate()
sc::DistArray4_Node0File::retrieve_pair_block
const double * retrieve_pair_block(int i, int j, tbint_type oper_type, double *buf=0) const
Retrieves an ij block of integrals.
sc::DistArray4::storage
const DistArray4Storage & storage() const
physical storage of the integrals. The default storage is XY. Storage is not mutable.
Definition: distarray4.h:122
sc::DistArray4_Node0File::is_avail
bool is_avail(int i, int j) const
In this implementation blocks are available only on node 0.
Definition: distarray4_node0file.h:108
sc::DistArray4_Node0File::activate
void activate()
implementation of DistArray4::activate()
sc::StateOut
Definition: stateout.h:71
sc::DistArray4_Node0File::release_pair_block
void release_pair_block(int i, int j, tbint_type oper_type) const
Releases an ij pair block of integrals.
sc::DistArray4_Node0File::is_local
bool is_local(int i, int j) const
Is this block stored locally?
Definition: distarray4_node0file.h:106
sc::DistArray4::ni
int ni() const
Rank of index space i.
Definition: distarray4.h:114
sc::DistArray4::tbint_type
unsigned int tbint_type
Types of two-body operators that DistArray4 understands.
Definition: distarray4.h:108
sc::DistArray4Dimensions
Definition: distarray4.h:43
sc::DistArray4::nx
int nx() const
Rank of index space x.
Definition: distarray4.h:118
sc::DistArray4_Node0File::data_persistent
bool data_persistent() const
implementation of DistArray4::data_persistent()
Definition: distarray4_node0file.h:92
sc
Contains all MPQC code up to version 3.
Definition: mpqcin.h:14
sc::DistArray4_Node0File
DistArray4_Node0File handles transformed integrals stored in file on node 0 (file is a usual POSIX bi...
Definition: distarray4_node0file.h:52
sc::Registry
Registry wraps std::map and can be policy-configured to act as a Singleton or a regular object.
Definition: registry.h:112

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