xsetmem.c File Reference

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

#include "Common.h"
#include "common/setmemory.h"
#include "xsetmem.h"
#include "wrapperMPI.h"

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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 Hamiltonian (Ham, L_vec), 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...
void	setmem_IntAll_Diagonal (int **InterAllOffDiagonal, double complex *ParaInterAllOffDiagonal, int **InterAllDiagonal, double *ParaInterAllDiagonal, const int NInterAll)
	Set the size of memories for InterAllDiagonal and InterAllOffDiagonal arrays. More...
int	GetlistSize (struct BindStruct *X)
	Set size of lists for the canonical ensemble. More...

Variables
static unsigned long int	mfint [7]

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.c.

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 288 of file xsetmem.c.

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

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

            {
    // unsigned int idim_maxMPI;

//    idim_maxMPI = MaxMPI_li(X->Check.idim_max);

    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:
        return FALSE;
    }
    return TRUE;
}

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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 55 of file xsetmem.c.

References BoostList::arrayJ, PhysList::charge_real_cor, DefineList::CisAjt, DefineList::CisAjtCkuAlvDC, DefineList::CoulombInter, DefineList::CoulombIntra, BindStruct::Def, DefineList::EDChemi, DefineList::EDGeneralTransfer, DefineList::EDNChemi, 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::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().

   {
  unsigned long int i = 0;
  unsigned long int j = 0;
  unsigned long int k = 0;
  X->Def.Tpow = lui_1d_allocate(2 * X->Def.Nsite + 2);
  X->Def.OrgTpow = lui_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.EDNChemi + X->Def.NInterAll + X->Def.NTransfer);
  X->Def.EDSpinChemi = i_1d_allocate(X->Def.EDNChemi + X->Def.NInterAll + X->Def.NTransfer);
  X->Def.EDParaChemi = d_1d_allocate(X->Def.EDNChemi + 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.SingleExcitationOperator = i_2d_allocate(X->Def.NSingleExcitationOperator, 3);
  X->Def.ParaSingleExcitationOperator = cd_1d_allocate(X->Def.NSingleExcitationOperator);
  X->Def.PairExcitationOperator = i_2d_allocate(X->Def.NPairExcitationOperator, 5);
  X->Def.ParaPairExcitationOperator = cd_1d_allocate(X->Def.NPairExcitationOperator);

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

  unsigned int ipivot, iarrayJ, ispin;
  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 = ui_1d_allocate(X->Def.NTETimeSteps);
    X->Def.NTETransferDiagonal = ui_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 = ui_1d_allocate(X->Def.NTETimeSteps);
    X->Def.NTEInterAllDiagonal = ui_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 = ui_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 = ui_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);
  }
}

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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 41 of file xsetmem.c.

References DefineList::CDataFileHead, DefineList::CParaFileHead, D_FileNameMax, 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));
}

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setmem_IntAll_Diagonal()

void setmem_IntAll_Diagonal	(	int **	InterAllOffDiagonal,
		double complex *	ParaInterAllOffDiagonal,
		int **	InterAllDiagonal,
		double *	ParaInterAllDiagonal,
		const int	NInterAll
	)

Set the size of memories for InterAllDiagonal and InterAllOffDiagonal arrays.

Parameters

InterAllOffDiagonal	[in,out] Arrays of cites and spin indexes of off-diagonal parts of InterAll interactions.
ParaInterAllOffDiagonal	[in,out] Arrays of parameters of off-diagonal parts of InterAll interactions.
InterAllDiagonal	[in,out] Arrays of cites and spin indexes of diagonal parts of InterAll interactions.
ParaInterAllDiagonal	[in,out] Arrays of parameters of diagonal parts of InterAll interactions.
NInterAll	[in] Total number of InterAll interactions.

Author

Kazuyoshi Yoshimi

Version

1.2

Definition at line 264 of file xsetmem.c.

References GetlistSize().

Referenced by setmem_large().

            {
    InterAllOffDiagonal = i_2d_allocate(NInterAll, 8);
    ParaInterAllOffDiagonal = cd_1d_allocate(NInterAll);
    InterAllDiagonal = i_2d_allocate(NInterAll, 4);
    ParaInterAllDiagonal = d_1d_allocate(NInterAll);
  }

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setmem_large()

int setmem_large

(

struct BindStruct *

X

)

Set size of memories for Hamiltonian (Ham, L_vec), 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 157 of file xsetmem.c.

References PhysList::all_doublon, PhysList::all_energy, PhysList::all_num_down, PhysList::all_num_up, PhysList::all_s2, PhysList::all_sz, alpha, beta, BindStruct::Check, cProFinishAlloc, BindStruct::Def, GetlistSize(), Ham, DefineList::iCalcType, CheckList::idim_max, DefineList::iFlgCalcSpec, DefineList::k_exct, L_vec, DefineList::Lanczos_max, DefineList::LanczosTarget, BindStruct::Large, list_1, list_1buf, list_2_1, list_2_2, list_Diagonal, MaxMPI_li(), DefineList::nvec, BindStruct::Phys, setmem_IntAll_Diagonal(), LargeList::SizeOflist_2_1, LargeList::SizeOflist_2_2, stdoutMPI, TRUE, v0, v1, v1buf, v2, vec, and vg.

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

   {

  unsigned long int j = 0;
  unsigned long int idim_maxMPI;

  idim_maxMPI = MaxMPI_li(X->Check.idim_max);

  if (GetlistSize(X) == TRUE) {
      list_1 = lui_1d_allocate(X->Check.idim_max + 1);
#ifdef MPI
      list_1buf = lui_1d_allocate(idim_maxMPI + 1);
#endif // MPI
      list_2_1 = lui_1d_allocate(X->Large.SizeOflist_2_1);
      list_2_2 = lui_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);
    v0 = cd_1d_allocate(X->Check.idim_max + 1);
    v1 = cd_1d_allocate(X->Check.idim_max + 1);
  if (X->Def.iCalcType == TimeEvolution) {
      v2 = cd_1d_allocate(X->Check.idim_max + 1);
  } else {
      v2 = cd_1d_allocate(1);
  }
#ifdef MPI
    v1buf = cd_1d_allocate(idim_maxMPI + 1);
#endif // MPI
  if (X->Def.iCalcType == TPQCalc) {
      vg = cd_1d_allocate(1);
  } else {
      vg = cd_1d_allocate(X->Check.idim_max + 1);
  }
    alpha = d_1d_allocate(X->Def.Lanczos_max + 1);
    beta = d_1d_allocate(X->Def.Lanczos_max + 1);

  if (
          list_Diagonal == NULL
          || v0 == NULL
          || v1 == NULL
          || vg == NULL
          ) {
    return -1;
  }

  if (X->Def.iCalcType == TPQCalc || X->Def.iFlgCalcSpec != CALCSPEC_NOT) {
      vec = cd_2d_allocate(X->Def.Lanczos_max + 1, X->Def.Lanczos_max + 1);
  } else if (X->Def.iCalcType == Lanczos || X->Def.iCalcType == CG) {
    if (X->Def.LanczosTarget > X->Def.nvec) {
        vec = cd_2d_allocate(X->Def.LanczosTarget + 1, X->Def.Lanczos_max + 1);
    } else {
        vec = cd_2d_allocate(X->Def.nvec + 1, X->Def.Lanczos_max + 1);
    }
  }

  if (X->Def.iCalcType == FullDiag) {
      X->Phys.all_num_down = d_1d_allocate(X->Check.idim_max + 1);
      X->Phys.all_num_up = d_1d_allocate( X->Check.idim_max + 1);
      X->Phys.all_energy = d_1d_allocate(X->Check.idim_max + 1);
      X->Phys.all_doublon = d_1d_allocate(X->Check.idim_max + 1);
      X->Phys.all_sz = d_1d_allocate(X->Check.idim_max + 1);
      X->Phys.all_s2 = d_1d_allocate(X->Check.idim_max + 1);
      Ham = cd_2d_allocate(X->Check.idim_max + 1, X->Check.idim_max + 1);
      L_vec = cd_2d_allocate(X->Check.idim_max + 1, X->Check.idim_max + 1);

    if (X->Phys.all_num_down == NULL
        || X->Phys.all_num_up == NULL
        || X->Phys.all_energy == NULL
        || X->Phys.all_doublon == NULL
        || X->Phys.all_s2 == NULL
            ) {
      return -1;
    }
    for (j = 0; j < X->Check.idim_max + 1; j++) {
      if (Ham[j] == NULL || L_vec[j] == NULL) {
        return -1;
      }
    }
  } else if (X->Def.iCalcType == CG) {
      X->Phys.all_num_down = d_1d_allocate(X->Def.k_exct);
      X->Phys.all_num_up = d_1d_allocate(X->Def.k_exct);
      X->Phys.all_energy = d_1d_allocate(X->Def.k_exct);
      X->Phys.all_doublon = d_1d_allocate(X->Def.k_exct);
      X->Phys.all_sz = d_1d_allocate(X->Def.k_exct);
      X->Phys.all_s2 = d_1d_allocate( X->Def.k_exct);
  }
  fprintf(stdoutMPI, "%s", cProFinishAlloc);
  return 0;
}

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Variable Documentation

mfint

unsigned long int mfint[7]

static

Definition at line 33 of file xsetmem.c.

Referenced by check(), and Lanczos_EigenValue().