xsetmem.cpp File Reference

Set size of memories to be needed for calculation. More...

#include "Common.hpp"
#include "common/setmemory.hpp"
#include "xsetmem.hpp"
#include "wrapperMPI.hpp"
#include <iostream>

Go to the source code of this file.

Functions
void	setmem_HEAD (struct BindStruct *X)
	Set size of memories headers of output files. More...
void	setmem_def (struct BindStruct *X, struct BoostList *xBoost)
	Set size of memories for Def and Phys in BindStruct. More...
int	setmem_large (struct BindStruct *X)
	Set size of memories for vectors(vg, v0, v1, v2, vec, alpha, beta), lists (list_1, list_2_1, list_2_2, list_Diagonal) and Phys(BindStruct.PhysList) struct in the case of Full Diag mode. More...
int	GetlistSize (struct BindStruct *X)
	Set size of lists for the canonical ensemble. More...

Detailed Description

Set size of memories to be needed for calculation.

Version

2.0

1.2

0.1

Author

Takahiro Misawa (The University of Tokyo)

Kazuyoshi Yoshimi (The University of Tokyo)

Definition in file xsetmem.cpp.

Function Documentation

GetlistSize()

int GetlistSize

(

struct BindStruct *

X

)

Set size of lists for the canonical ensemble.

Parameters

X	[in,out] Give the information for getting the list size and get the lists. Input: DefineList.iFlgGeneralSpin, DefineList.iCalcModel, DefineList.Nsite, CheckList.sdim, DefineList.Tpow, DefineList.SiteToBit Output: LargeList.SizeOflist_2_1, LargeList.SizeOflist_2_2, LargeList.SizeOflistjb

Return values

TRUE	Normally finished
FALSE	Unnormally finished

Author

Kazuyoshi Yoshimi

Version

1.2

Definition at line 220 of file xsetmem.cpp.

References BindStruct::Check, BindStruct::Def, DefineList::iCalcModel, DefineList::iFlgGeneralSpin, BindStruct::Large, DefineList::Nsite, CheckList::sdim, DefineList::SiteToBit, LargeList::SizeOflist_2_1, LargeList::SizeOflist_2_2, LargeList::SizeOflistjb, and DefineList::Tpow.

Referenced by CalcSpectrum(), MakeExcitedList(), and setmem_large().

  {
  switch (X->Def.iCalcModel) {
  case Spin:
  case Hubbard:
  case HubbardNConserved:
  case Kondo:
  case KondoGC:
    if (X->Def.iFlgGeneralSpin == FALSE) {
      if (X->Def.iCalcModel == Spin && X->Def.Nsite % 2 == 1) {
        X->Large.SizeOflist_2_1 = X->Check.sdim * 2 + 2;
      }
      else {
        X->Large.SizeOflist_2_1 = X->Check.sdim + 2;
      }
      X->Large.SizeOflist_2_2 = X->Check.sdim + 2;
      X->Large.SizeOflistjb = X->Check.sdim + 2;
    }
    else {//for spin-canonical general spin
      X->Large.SizeOflist_2_1 = X->Check.sdim + 2;
      X->Large.SizeOflist_2_2 =
        X->Def.Tpow[X->Def.Nsite - 1] * X->Def.SiteToBit[X->Def.Nsite - 1] / X->Check.sdim + 2;
      X->Large.SizeOflistjb =
        X->Def.Tpow[X->Def.Nsite - 1] * X->Def.SiteToBit[X->Def.Nsite - 1] / X->Check.sdim + 2;
    }
    break;
  default:
    X->Large.SizeOflistjb = 1;
    return FALSE;
  }
  return TRUE;
}

setmem_def()

void setmem_def	(	struct BindStruct *	X,
		struct BoostList *	xBoost
	)

Set size of memories for Def and Phys in BindStruct.

Parameters

X	[in,out] BindStruct to get information of Def and Phys structs.
xBoost	[in,out] Struct for Boost mode.

Version

0.1

Definition at line 53 of file xsetmem.cpp.

References BoostList::arrayJ, PhysList::charge_real_cor, DefineList::CisAjt, DefineList::CisAjtCkuAlvDC, DefineList::CoulombInter, DefineList::CoulombIntra, BindStruct::Def, DefineList::EDChemi, DefineList::EDGeneralTransfer, DefineList::EDParaChemi, DefineList::EDParaGeneralTransfer, DefineList::EDSpinChemi, DefineList::ExchangeCoupling, DefineList::GeneralTransfer, DefineList::HundCoupling, DefineList::iCalcType, DefineList::InterAll, DefineList::InterAll_Diagonal, DefineList::InterAll_OffDiagonal, BoostList::list_6spin_pair, BoostList::list_6spin_star, PhysList::loc_spin_z, DefineList::LocSpn, DefineList::NCisAjt, DefineList::NCisAjtCkuAlvDC, DefineList::NCoulombInter, DefineList::NCoulombIntra, DefineList::NExchangeCoupling, DefineList::NHundCoupling, DefineList::NInterAll, DefineList::NIsingCoupling, DefineList::NLaser, DefineList::NNPairExcitationOperator, DefineList::NNSingleExcitationOperator, DefineList::NPairExcitationOperator, DefineList::NPairHopping, DefineList::NPairLiftCoupling, DefineList::NSingleExcitationOperator, DefineList::Nsite, DefineList::NTEChemi, DefineList::NTEInterAll, DefineList::NTEInterAllDiagonal, DefineList::NTEInterAllMax, DefineList::NTEInterAllOffDiagonal, DefineList::NTETimeSteps, DefineList::NTETransfer, DefineList::NTETransferDiagonal, DefineList::NTETransferMax, DefineList::NTransfer, BoostList::num_pivot, BoostList::NumarrayJ, DefineList::OrgTpow, DefineList::PairExcitationOperator, DefineList::PairHopping, DefineList::PairLiftCoupling, DefineList::ParaCoulombInter, DefineList::ParaCoulombIntra, DefineList::ParaExchangeCoupling, DefineList::ParaGeneralTransfer, DefineList::ParaHundCoupling, DefineList::ParaInterAll, DefineList::ParaInterAll_Diagonal, DefineList::ParaInterAll_OffDiagonal, DefineList::ParaLaser, DefineList::ParaPairExcitationOperator, DefineList::ParaPairHopping, DefineList::ParaPairLiftCoupling, DefineList::ParaSingleExcitationOperator, DefineList::ParaTEChemi, DefineList::ParaTEInterAll, DefineList::ParaTEInterAllDiagonal, DefineList::ParaTEInterAllOffDiagonal, DefineList::ParaTETransfer, DefineList::ParaTETransferDiagonal, BindStruct::Phys, BoostList::R0, setmem_large(), DefineList::SingleExcitationOperator, DefineList::SiteToBit, PhysList::spin_real_cor, DefineList::SpinTEChemi, DefineList::TEChemi, DefineList::TEInterAll, DefineList::TEInterAllDiagonal, DefineList::TEInterAllOffDiagonal, DefineList::TETime, DefineList::TETransfer, DefineList::TETransferDiagonal, and DefineList::Tpow.

Referenced by main(), and setmem_HEAD().

   {
  X->Def.Tpow = li_1d_allocate(2 * X->Def.Nsite + 2);
  X->Def.OrgTpow = li_1d_allocate(2 * X->Def.Nsite + 2);
  X->Def.SiteToBit = li_1d_allocate(X->Def.Nsite + 1);
  X->Def.LocSpn = i_1d_allocate(X->Def.Nsite);
  X->Phys.spin_real_cor = d_1d_allocate(X->Def.Nsite * X->Def.Nsite);
  X->Phys.charge_real_cor = d_1d_allocate(X->Def.Nsite * X->Def.Nsite);
  X->Phys.loc_spin_z = d_1d_allocate(X->Def.Nsite * X->Def.Nsite);
  X->Def.EDChemi = i_1d_allocate(X->Def.NInterAll + X->Def.NTransfer);
  X->Def.EDSpinChemi = i_1d_allocate(X->Def.NInterAll + X->Def.NTransfer);
  X->Def.EDParaChemi = d_1d_allocate(X->Def.NInterAll + X->Def.NTransfer);
  X->Def.GeneralTransfer = i_2d_allocate(X->Def.NTransfer, 4);
  X->Def.ParaGeneralTransfer = cd_1d_allocate(X->Def.NTransfer);

  if (X->Def.iCalcType == TimeEvolution) {
    X->Def.EDGeneralTransfer = i_2d_allocate(X->Def.NTransfer + X->Def.NTETransferMax, 4);
    X->Def.EDParaGeneralTransfer = cd_1d_allocate(X->Def.NTransfer + X->Def.NTETransferMax);
  } else {
    X->Def.EDGeneralTransfer = i_2d_allocate(X->Def.NTransfer, 4);
    X->Def.EDParaGeneralTransfer = cd_1d_allocate(X->Def.NTransfer);
  }

  X->Def.CoulombIntra = i_2d_allocate(X->Def.NCoulombIntra, 1);
  X->Def.ParaCoulombIntra = d_1d_allocate(X->Def.NCoulombIntra);
  X->Def.CoulombInter = i_2d_allocate(X->Def.NCoulombInter + X->Def.NIsingCoupling, 2);
  X->Def.ParaCoulombInter = d_1d_allocate(X->Def.NCoulombInter + X->Def.NIsingCoupling);
  X->Def.HundCoupling = i_2d_allocate(X->Def.NHundCoupling + X->Def.NIsingCoupling, 2);
  X->Def.ParaHundCoupling = d_1d_allocate(X->Def.NHundCoupling + X->Def.NIsingCoupling);
  X->Def.PairHopping = i_2d_allocate(X->Def.NPairHopping, 2);
  X->Def.ParaPairHopping = d_1d_allocate(X->Def.NPairHopping);
  X->Def.ExchangeCoupling = i_2d_allocate(X->Def.NExchangeCoupling, 2);
  X->Def.ParaExchangeCoupling = d_1d_allocate(X->Def.NExchangeCoupling);
  X->Def.PairLiftCoupling = i_2d_allocate(X->Def.NPairLiftCoupling, 2);
  X->Def.ParaPairLiftCoupling = d_1d_allocate(X->Def.NPairLiftCoupling);

  X->Def.InterAll = i_2d_allocate(X->Def.NInterAll, 8);
  X->Def.ParaInterAll = cd_1d_allocate(X->Def.NInterAll);

  X->Def.CisAjt = i_2d_allocate(X->Def.NCisAjt, 4);
  X->Def.CisAjtCkuAlvDC = i_2d_allocate(X->Def.NCisAjtCkuAlvDC, 8);

  X->Def.NSingleExcitationOperator = i_1d_allocate(X->Def.NNSingleExcitationOperator);
  X->Def.SingleExcitationOperator = (int***)malloc(sizeof(int**)*X->Def.NNSingleExcitationOperator);
  X->Def.ParaSingleExcitationOperator = (std::complex<double>**)malloc(
    sizeof(std::complex<double>*)*X->Def.NNSingleExcitationOperator);
  X->Def.NPairExcitationOperator = i_1d_allocate(X->Def.NNPairExcitationOperator);
  X->Def.PairExcitationOperator = (int***)malloc(sizeof(int**)*X->Def.NNPairExcitationOperator);
  X->Def.ParaPairExcitationOperator = (std::complex<double>**)malloc(
    sizeof(std::complex<double>*)*X->Def.NNPairExcitationOperator);

  X->Def.ParaLaser = d_1d_allocate(X->Def.NLaser);

  xBoost->list_6spin_star = i_2d_allocate(xBoost->R0 * xBoost->num_pivot, 7);
  xBoost->list_6spin_pair = i_3d_allocate(xBoost->R0 * xBoost->num_pivot, 7, 15);
  xBoost->arrayJ = cd_3d_allocate(xBoost->NumarrayJ, 3, 3);

  int NInterAllSet;
  NInterAllSet = (X->Def.iCalcType == TimeEvolution) ? X->Def.NInterAll + X->Def.NTEInterAllMax : X->Def.NInterAll;
  X->Def.InterAll_OffDiagonal = i_2d_allocate(NInterAllSet, 8);
  X->Def.ParaInterAll_OffDiagonal = cd_1d_allocate(NInterAllSet);
  X->Def.InterAll_Diagonal = i_2d_allocate(NInterAllSet, 4);
  X->Def.ParaInterAll_Diagonal = d_1d_allocate(NInterAllSet);

  if (X->Def.iCalcType == TimeEvolution) {
    X->Def.TETime = d_1d_allocate(X->Def.NTETimeSteps);
    //Time-dependent Transfer
    X->Def.NTETransfer = i_1d_allocate(X->Def.NTETimeSteps);
    X->Def.NTETransferDiagonal = i_1d_allocate(X->Def.NTETimeSteps);
    X->Def.TETransfer = i_3d_allocate(X->Def.NTETimeSteps, X->Def.NTETransferMax, 4);
    X->Def.TETransferDiagonal = i_3d_allocate(X->Def.NTETimeSteps, X->Def.NTETransferMax, 2);
    X->Def.ParaTETransfer = cd_2d_allocate(X->Def.NTETimeSteps, X->Def.NTETransferMax);
    X->Def.ParaTETransferDiagonal = d_2d_allocate(X->Def.NTETimeSteps, X->Def.NTETransferMax);
    //Time-dependent InterAll
    X->Def.NTEInterAll = i_1d_allocate(X->Def.NTETimeSteps);
    X->Def.NTEInterAllDiagonal = i_1d_allocate(X->Def.NTETimeSteps);
    X->Def.TEInterAll = i_3d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax, 8);
    X->Def.TEInterAllDiagonal = i_3d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax, 4);
    X->Def.ParaTEInterAll = cd_2d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    X->Def.ParaTEInterAllDiagonal = d_2d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    X->Def.NTEInterAllOffDiagonal = i_1d_allocate(X->Def.NTETimeSteps);
    X->Def.TEInterAllOffDiagonal = i_3d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax, 8);
    X->Def.ParaTEInterAllOffDiagonal = cd_2d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    //Time-dependent Chemi generated by InterAll diagonal components
    X->Def.NTEChemi = i_1d_allocate(X->Def.NTETimeSteps);
    X->Def.TEChemi = i_2d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    X->Def.SpinTEChemi = i_2d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    X->Def.ParaTEChemi = d_2d_allocate(X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
  }
}

setmem_HEAD()

void setmem_HEAD

(

struct BindStruct *

X

)

Set size of memories headers of output files.

Parameters

X	[out] BindStruct to get headers of files. Output: CDataFileHead, CParaFileHead

Version

0.1

Definition at line 39 of file xsetmem.cpp.

References DefineList::CDataFileHead, DefineList::CParaFileHead, BindStruct::Def, and setmem_def().

Referenced by main().

{
  X->Def.CDataFileHead = (char*)malloc(D_FileNameMax*sizeof(char));
  X->Def.CParaFileHead = (char*)malloc(D_FileNameMax*sizeof(char));
}

setmem_large()

int setmem_large

(

struct BindStruct *

X

)

Set size of memories for vectors(vg, v0, v1, v2, vec, alpha, beta), lists (list_1, list_2_1, list_2_2, list_Diagonal) and Phys(BindStruct.PhysList) struct in the case of Full Diag mode.

Parameters

X	[in,out] BindStruct to give information and give size of memories for Hamiltonian, vectors, lists and Phys struct in the case of Full Diag mode.

Return values

-1	Fail to set memories.
0	Normal to set memories.

Version

0.1

Definition at line 154 of file xsetmem.cpp.

References BindStruct::Check, BindStruct::Def, PhysList::doublon, PhysList::doublon2, PhysList::energy, GetlistSize(), DefineList::iCalcType, CheckList::idim_max, DefineList::k_exct, BindStruct::Large, list_1, list_1buf, list_2_1, list_2_2, list_Diagonal, MaxMPI_li(), PhysList::num, PhysList::num2, PhysList::num_down, PhysList::num_up, NumAve, BindStruct::Phys, PhysList::s2, LargeList::SizeOflist_2_1, LargeList::SizeOflist_2_2, stdoutMPI, PhysList::Sz, PhysList::Sz2, v0, v1, v1buf, and PhysList::var.

Referenced by main(), MakeExcitedList(), and setmem_def().

  {
  int nstate;

  if (GetlistSize(X) == TRUE) {
    list_1 = li_1d_allocate(X->Check.idim_max + 1);
    list_2_1 = li_1d_allocate(X->Large.SizeOflist_2_1);
    list_2_2 = li_1d_allocate(X->Large.SizeOflist_2_2);
    if (list_1 == NULL
      || list_2_1 == NULL
      || list_2_2 == NULL
      ) {
      return -1;
    }
  }

  list_Diagonal = d_1d_allocate(X->Check.idim_max + 1);

  if (X->Def.iCalcType == FullDiag) {
    nstate = X->Check.idim_max;
  }
  else if (X->Def.iCalcType == CG) {
    nstate = X->Def.k_exct;
  }
  else if (X->Def.iCalcType == TPQCalc) {
    nstate = NumAve;
  }
  else {
    nstate = 1;
  }
  v0 = cd_2d_allocate(X->Check.idim_max + 1, nstate);
  v1 = cd_2d_allocate(X->Check.idim_max + 1, nstate);
#ifdef __MPI
  long int MAXidim_max;
  MAXidim_max = MaxMPI_li(X->Check.idim_max);
  if (GetlistSize(X) == TRUE) list_1buf = li_1d_allocate(MAXidim_max + 1);
  v1buf = cd_2d_allocate(MAXidim_max + 1, nstate);
#else
  if (X->Def.iCalcType == CG) v1buf = cd_2d_allocate(X->Check.idim_max + 1, nstate);
#endif // MPI

  X->Phys.num_down = d_1d_allocate(nstate);
  X->Phys.num_up = d_1d_allocate(nstate);
  X->Phys.num = d_1d_allocate(nstate);
  X->Phys.num2 = d_1d_allocate(nstate);
  X->Phys.energy = d_1d_allocate(nstate);
  X->Phys.var = d_1d_allocate(nstate);
  X->Phys.doublon = d_1d_allocate(nstate);
  X->Phys.doublon2 = d_1d_allocate(nstate);
  X->Phys.Sz = d_1d_allocate(nstate);
  X->Phys.Sz2 = d_1d_allocate(nstate);
  X->Phys.s2 = d_1d_allocate(nstate);

  fprintf(stdoutMPI, "%s", "\n######  LARGE ALLOCATE FINISH !  ######\n\n");
  return 0;
}