NAME

       sc::R12IntsAcc_MPIIOFile_Ind

SYNOPSIS

       Inherits sc::R12IntsAcc_MPIIOFile.

   Public Member Functions
       R12IntsAcc_MPIIOFile_Ind (Ref< MemoryGrp > &mem, const char *filename, int num_te_types,
           int ni, int nj, int nx, int ny)
       R12IntsAcc_MPIIOFile_Ind (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_memorygrp (Ref< MemoryGrp > &mem, int ni, const size_t blksize=0)
           Stores all pair block of integrals held in mem.
       double * retrieve_pair_block (int i, int j, tbint_type oper_type)
           Retrieves an ij pair block of integrals from the file.

       Public Member Functions inherited from sc::R12IntsAcc_MPIIOFile
       R12IntsAcc_MPIIOFile (Ref< MemoryGrp > &mem, const char *filename, int num_te_types, int
           ni, int nj, int nx, int ny)
       R12IntsAcc_MPIIOFile (StateIn &)
       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

       Public Member Functions inherited from sc::R12IntsAcc
       R12IntsAcc (int num_te_types, int ni, int nj, int nx, int ny)
       R12IntsAcc (StateIn &)
       int num_te_types () const
           The number of types of integrals that are being handled together.
       int ni () const
           Rank of index space i.
       int nj () const
           Rank of index space j.
       int nx () const
           Rank of index space x.
       int ny () const
           Rank of index space y.
       size_t blocksize () const
           Size of each block of the integrals of one type, in double words.
       int next_orbital () const
           The index of the first orbital in the next integrals batch to be stored.
       bool is_committed ()
           Has the content of the accumulator been commited for reading?
       const bool is_active ()
           Check if can read content.
       int tasks_with_access (vector< int > &twa_map) const
           Returns the total number of tasks with access to integrals.

       Public Member Functions inherited from sc::SavableState
       SavableState & operator= (const SavableState &)
       void save_state (StateOut &)
           Save the state of the object as specified by the StateOut object.
       void save_object_state (StateOut &)
           This can be used for saving state when the exact type of the object is known for both
           the save and the restore.
       virtual void save_vbase_state (StateOut &)
           Save the virtual bases for the object.

       Public Member Functions inherited from sc::DescribedClass
       DescribedClass (const DescribedClass &)
       DescribedClass & operator= (const DescribedClass &)
       ClassDesc * class_desc () const  throw ()
           This returns the unique pointer to the ClassDesc corresponding to the given type_info
           object.
       const char * class_name () const
           Return the name of the object's exact type.
       int class_version () const
           Return the version of the class.
       virtual void print (std::ostream &=ExEnv::out0()) const
           Print the object.

       Public Member Functions inherited from sc::RefCount
       int lock_ptr () const
           Lock this object.
       int unlock_ptr () const
           Unlock this object.
       void use_locks (bool inVal)
           start and stop using locks on this object
       refcount_t nreference () const
           Return the reference count.
       refcount_t reference ()
           Increment the reference count and return the new count.
       refcount_t dereference ()
           Decrement the reference count and return the new count.
       int managed () const
       void unmanage ()
           Turn off the reference counting mechanism for this object.
       int managed () const
           Return 1 if the object is managed. Otherwise return 0.

       Public Member Functions inherited from sc::Identity
       Identifier identifier ()
           Return the Identifier for this argument.

   Additional Inherited Members
       Public Types inherited from sc::R12IntsAcc
       enum tbint_type { eri =0, r12 =1, r12t1 =2, r12t2 =3 }
           Types of two-body operators that R12IntsAcc understands.

       Static Public Member Functions inherited from sc::SavableState
       static void save_state (SavableState *s, StateOut &)
       static SavableState * restore_state (StateIn &si)
           Restores objects saved with save_state.
       static SavableState * key_restore_state (StateIn &si, const char *keyword)
           Like restore_state, but keyword is used to override values while restoring.
       static SavableState * dir_restore_state (StateIn &si, const char *objectname, const char
           *keyword=0)

       Static Public Attributes inherited from sc::R12IntsAcc
       static const int max_num_te_types_ = 4

       Protected Member Functions inherited from sc::R12IntsAcc_MPIIOFile
       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 Member Functions inherited from sc::R12IntsAcc
       void inc_next_orbital (int ni)
           The index of the first orbital in the next integrals batch to be stored.

       Protected Member Functions inherited from sc::SavableState
       SavableState (const SavableState &)
       SavableState (StateIn &)
           Each derived class StateIn CTOR handles the restore corresponding to calling
           save_object_state, save_vbase_state, and save_data_state listed above.

       Protected Member Functions inherited from sc::RefCount
       RefCount (const RefCount &)
       RefCount & operator= (const RefCount &)

       Protected Attributes inherited from sc::R12IntsAcc_MPIIOFile
       Ref< MemoryGrp > mem_
       int nproc_
       size_t nints_per_block_
       char * filename_
       MPI_File datafile_
       struct sc::R12IntsAcc_MPIIOFile::PairBlkInfo * pairblk_

       Protected Attributes inherited from sc::R12IntsAcc
       int ni_
       int nj_
       int nx_
       int ny_
       size_t nxy_
       size_t blksize_
       size_t blocksize_
       int next_orbital_
       bool committed_
       bool active_

Member Function Documentation

   double * sc::R12IntsAcc_MPIIOFile_Ind::retrieve_pair_block (int i, int j, tbint_type
       oper_type) [virtual]
       Retrieves an ij pair block of integrals from the file.

       Implements sc::R12IntsAcc.

   void sc::R12IntsAcc_MPIIOFile_Ind::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_MPIIOFile.

   void sc::R12IntsAcc_MPIIOFile_Ind::store_memorygrp (Ref< MemoryGrp > & mem, int ni, const
       size_t blksize = 0) [virtual]
       Stores all pair block of integrals held in mem. By default blocks are appended to the end
       of the same file, i.e. they are assumed to have come from consecutive passes of the same
       transformation. This is a collective operation. See documentation for
       R12IntsAcc::store_memorygrp() for more info.

       Implements sc::R12IntsAcc.

Author

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