xsetmem.c File Reference

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

#include "Common.h"
#include "mfmemory.h"
#include "xsetmem.h"
#include "wrapperMPI.h"

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 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 379 of file xsetmem.c.

References FALSE, TRUE, and X.

Referenced by MakeExcitedList(), 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;
}

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 56 of file xsetmem.c.

References BoostList::arrayJ, BoostList::list_6spin_pair, BoostList::list_6spin_star, BoostList::num_pivot, BoostList::NumarrayJ, BoostList::R0, and X.

Referenced by main().

{
  unsigned long int i=0;
  unsigned long int j=0;
  unsigned long int k=0;
  lui_malloc1(X->Def.Tpow, 2*X->Def.Nsite+2);
  lui_malloc1(X->Def.OrgTpow, 2*X->Def.Nsite+2);
  for(i=0; i<2*X->Def.Nsite+2; i++){
    X->Def.Tpow[i]=0;
    X->Def.OrgTpow[i]=0;
  }
  li_malloc1(X->Def.SiteToBit, X->Def.Nsite+1);
  for(i=0; i<X->Def.Nsite+1; i++){
    X->Def.SiteToBit[i]=0;
  }
  
  i_malloc1(X->Def.LocSpn, X->Def.Nsite);
  d_malloc1(X->Phys.spin_real_cor, X->Def.Nsite*X->Def.Nsite);
  d_malloc1(X->Phys.charge_real_cor, X->Def.Nsite*X->Def.Nsite);
  d_malloc1(X->Phys.loc_spin_z, X->Def.Nsite*X->Def.Nsite);
  
  i_malloc1(X->Def.EDChemi, X->Def.EDNChemi+X->Def.NInterAll+X->Def.NTransfer);
  i_malloc1(X->Def.EDSpinChemi, X->Def.EDNChemi+X->Def.NInterAll+X->Def.NTransfer);
  d_malloc1(X->Def.EDParaChemi, X->Def.EDNChemi+X->Def.NInterAll+X->Def.NTransfer);

  i_malloc2(X->Def.GeneralTransfer, X->Def.NTransfer, 4);
  c_malloc1(X->Def.ParaGeneralTransfer, X->Def.NTransfer);

  if(X->Def.iCalcType == TimeEvolution){
    i_malloc2(X->Def.EDGeneralTransfer, X->Def.NTransfer+X->Def.NTETransferMax, 4);
    c_malloc1(X->Def.EDParaGeneralTransfer, X->Def.NTransfer+X->Def.NTETransferMax);

  }
  else {
    i_malloc2(X->Def.EDGeneralTransfer, X->Def.NTransfer, 4);
    c_malloc1(X->Def.EDParaGeneralTransfer, X->Def.NTransfer);
  }
  i_malloc2(X->Def.CoulombIntra, X->Def.NCoulombIntra, 1);
  d_malloc1(X->Def.ParaCoulombIntra, X->Def.NCoulombIntra);
  i_malloc2(X->Def.CoulombInter, X->Def.NCoulombInter+X->Def.NIsingCoupling, 2);
  d_malloc1(X->Def.ParaCoulombInter, X->Def.NCoulombInter+X->Def.NIsingCoupling);
  i_malloc2(X->Def.HundCoupling, X->Def.NHundCoupling+X->Def.NIsingCoupling, 2);
  d_malloc1(X->Def.ParaHundCoupling, X->Def.NHundCoupling+X->Def.NIsingCoupling);
  i_malloc2(X->Def.PairHopping, X->Def.NPairHopping, 2);
  d_malloc1(X->Def.ParaPairHopping, X->Def.NPairHopping); 
  i_malloc2(X->Def.ExchangeCoupling, X->Def.NExchangeCoupling, 2);
  d_malloc1(X->Def.ParaExchangeCoupling, X->Def.NExchangeCoupling);
  i_malloc2(X->Def.PairLiftCoupling, X->Def.NPairLiftCoupling, 2);
  d_malloc1(X->Def.ParaPairLiftCoupling, X->Def.NPairLiftCoupling);

  i_malloc2(X->Def.InterAll, X->Def.NInterAll, 8);
  c_malloc1(X->Def.ParaInterAll, X->Def.NInterAll);
    
  i_malloc2(X->Def.CisAjt, X->Def.NCisAjt, 4);
  i_malloc2(X->Def.CisAjtCkuAlvDC, X->Def.NCisAjtCkuAlvDC, 8);

  i_malloc2(X->Def.SingleExcitationOperator, X->Def.NSingleExcitationOperator, 3);
  c_malloc1(X->Def.ParaSingleExcitationOperator, X->Def.NSingleExcitationOperator);
  i_malloc2(X->Def.PairExcitationOperator, X->Def.NPairExcitationOperator, 5);
  c_malloc1(X->Def.ParaPairExcitationOperator, X->Def.NPairExcitationOperator);

  d_malloc1(X->Def.ParaLaser, X->Def.NLaser);

  unsigned int ipivot,iarrayJ,ispin;
  xBoost->list_6spin_star = (int **)malloc(sizeof(int*) * xBoost->R0 * xBoost->num_pivot);
  for (ipivot = 0; ipivot <  xBoost->R0 * xBoost->num_pivot; ipivot++) {
    xBoost->list_6spin_star[ipivot] = (int *)malloc(sizeof(int) * 7);
  }
  
  xBoost->list_6spin_pair = (int ***)malloc(sizeof(int**) * xBoost->R0 * xBoost->num_pivot);
  for (ipivot = 0; ipivot <  xBoost->R0 * xBoost->num_pivot; ipivot++) {
    xBoost->list_6spin_pair[ipivot] = (int **)malloc(sizeof(int*) * 7);
    for (ispin = 0; ispin < 7; ispin++) {
      xBoost->list_6spin_pair[ipivot][ispin] = (int *)malloc(sizeof(int) * 15);
    }
  }

  xBoost->arrayJ = (double complex ***)malloc(sizeof(double complex**) * xBoost->NumarrayJ);
for (iarrayJ = 0; iarrayJ < xBoost->NumarrayJ; iarrayJ++) {
  xBoost->arrayJ[iarrayJ] = (double complex **)malloc(sizeof(double complex*) * 3);
  for (i = 0; i < 3; i++) {
    xBoost->arrayJ[iarrayJ][i] = (double complex *)malloc(sizeof(double complex) * 3);
  }
}

  int NInterAllSet;
  NInterAllSet= (X->Def.iCalcType==TimeEvolution) ? X->Def.NInterAll+X->Def.NTEInterAllMax: X->Def.NInterAll;
  i_malloc2(X->Def.InterAll_OffDiagonal, NInterAllSet, 8);
  c_malloc1(X->Def.ParaInterAll_OffDiagonal, NInterAllSet);
  i_malloc2(X->Def.InterAll_Diagonal, NInterAllSet, 4);
  d_malloc1(X->Def.ParaInterAll_Diagonal, NInterAllSet);

  if (X->Def.iCalcType == TimeEvolution){
    d_malloc1(X->Def.TETime, X->Def.NTETimeSteps);
    //Time-dependent Transfer
    ui_malloc1(X->Def.NTETransfer, X->Def.NTETimeSteps);
    ui_malloc1(X->Def.NTETransferDiagonal, X->Def.NTETimeSteps);
    i_malloc3(X->Def.TETransfer, X->Def.NTETimeSteps, X->Def.NTETransferMax, 4);
    i_malloc3(X->Def.TETransferDiagonal, X->Def.NTETimeSteps, X->Def.NTETransferMax, 2);
    c_malloc2(X->Def.ParaTETransfer, X->Def.NTETimeSteps, X->Def.NTETransferMax);
    d_malloc2(X->Def.ParaTETransferDiagonal, X->Def.NTETimeSteps,X->Def.NTETransferMax);
    //Time-dependent InterAll
    ui_malloc1(X->Def.NTEInterAll, X->Def.NTETimeSteps);
    ui_malloc1(X->Def.NTEInterAllDiagonal, X->Def.NTETimeSteps);
    i_malloc3(X->Def.TEInterAll, X->Def.NTETimeSteps, X->Def.NTEInterAllMax, 8);
    i_malloc3(X->Def.TEInterAllDiagonal, X->Def.NTETimeSteps, X->Def.NTEInterAllMax, 4);
    c_malloc2(X->Def.ParaTEInterAll, X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    d_malloc2(X->Def.ParaTEInterAllDiagonal, X->Def.NTETimeSteps,X->Def.NTEInterAllMax);
    ui_malloc1(X->Def.NTEInterAllOffDiagonal, X->Def.NTETimeSteps);
    i_malloc3(X->Def.TEInterAllOffDiagonal, X->Def.NTETimeSteps, X->Def.NTEInterAllMax, 8);
    c_malloc2(X->Def.ParaTEInterAllOffDiagonal, X->Def.NTETimeSteps,X->Def.NTEInterAllMax);

    //Time-dependent Chemi generated by InterAll diagonal components
    ui_malloc1(X->Def.NTEChemi, X->Def.NTETimeSteps);
    i_malloc2(X->Def.TEChemi,  X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    i_malloc2(X->Def.SpinTEChemi,  X->Def.NTETimeSteps, X->Def.NTEInterAllMax);
    d_malloc2(X->Def.ParaTEChemi, X->Def.NTETimeSteps, X->Def.NTEInterAllMax);

    for(i = 0; i <  X->Def.NTETimeSteps; i++){
      X->Def.TETime[i]=0;
      X->Def.NTETransfer[i]=0;
      X->Def.NTETransferDiagonal[i]=0;
      X->Def.NTEChemi[i]=0;

      X->Def.NTEInterAll[i] = 0;
      X->Def.NTEInterAllDiagonal[i] = 0;
      X->Def.NTEInterAllOffDiagonal[i] = 0;
      for(j = 0; j < X->Def.NTETransferMax; j++) {
        X->Def.ParaTETransfer[i][j]=0;
        X->Def.ParaTETransferDiagonal[i][j]=0;
        for(k = 0; k< 4; k++){
          X->Def.TETransfer[i][j][k]=0;
        }
        for(k = 0; k< 2; k++){
          X->Def.TETransferDiagonal[i][j][k]=0;
        }
      }
      for(j = 0; j < X->Def.NTEInterAllMax; j++){
        X->Def.ParaTEInterAll[i][j]=0;
        X->Def.ParaTEInterAllDiagonal[i][j]=0;
        X->Def.ParaTEInterAllOffDiagonal[i][j]=0;
        X->Def.TEChemi[i][j]=0;
        X->Def.SpinTEChemi[i][j]=0;
        X->Def.ParaTEChemi[i][j]=0;
        for(k = 0; k< 4; k++){
          X->Def.TEInterAllDiagonal[i][j][k]=0;
        }
        for(k = 0; k< 8; k++){
          X->Def.TEInterAll[i][j][k]=0;
          X->Def.TEInterAllOffDiagonal[i][j][k]=0;
        }
      }
    }

  }
}

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 42 of file xsetmem.c.

References D_FileNameMax, and X.

Referenced by main().

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

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 355 of file xsetmem.c.

            {
    i_malloc2(InterAllOffDiagonal, NInterAll, 8);
    c_malloc1(ParaInterAllOffDiagonal, NInterAll);
    i_malloc2(InterAllDiagonal, NInterAll, 4);
    d_malloc1(ParaInterAllDiagonal, NInterAll);
  }

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 224 of file xsetmem.c.

References alpha, beta, cProFinishAlloc, GetlistSize(), Ham, L_vec, list_1, list_1buf, list_2_1, list_2_2, list_Diagonal, MaxMPI_li(), stdoutMPI, TRUE, v0, v1, v1buf, v2, vec, vg, and X.

Referenced by main(), and MakeExcitedList().

   {

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

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

  if (GetlistSize(X) == TRUE) {
    lui_malloc1(list_1, X->Check.idim_max + 1);
#ifdef MPI
    lui_malloc1(list_1buf, idim_maxMPI + 1);
    for (j = 0; j < X->Check.idim_max + 1; j++) {
      list_1buf[j] = 0;
    }
#endif // MPI
    lui_malloc1(list_2_1, X->Large.SizeOflist_2_1);
    lui_malloc1(list_2_2, X->Large.SizeOflist_2_2);
    if (list_1 == NULL
        || list_2_1 == NULL
        || list_2_2 == NULL
            ) {
      return -1;
    }
    for (j = 0; j < X->Check.idim_max + 1; j++) {
      list_1[j] = 0;
    }
    for (j = 0; j < X->Large.SizeOflist_2_1; j++) {
      list_2_1[j] = 0;
    }
    for (j = 0; j < X->Large.SizeOflist_2_2; j++) {
      list_2_2[j] = 0;
    }
  }

  d_malloc1(list_Diagonal, X->Check.idim_max + 1);
  c_malloc1(v0, X->Check.idim_max + 1);
  c_malloc1(v1, X->Check.idim_max + 1);
  for (j = 0; j < X->Check.idim_max + 1; j++) {
    list_Diagonal[j] = 0;
    v0[j] = 0;
    v1[j] = 0;
  }
  if (X->Def.iCalcType == TimeEvolution) {
    c_malloc1(v2, X->Check.idim_max + 1);
  } else {
    c_malloc1(v2, 1);
  }
#ifdef MPI
  c_malloc1(v1buf, idim_maxMPI + 1);
  for (j = 0; j < X->Check.idim_max + 1; j++) {
    v1buf[j] = 0;
  }
#endif // MPI
  if (X->Def.iCalcType == TPQCalc) {
    c_malloc1(vg, 1);
    vg[0] = 0;
  } else {
    c_malloc1(vg, X->Check.idim_max + 1);
    for (j = 0; j < X->Check.idim_max + 1; j++) {
      vg[j] = 0;
    }
  }
  d_malloc1(alpha, X->Def.Lanczos_max + 1);
  d_malloc1(beta, 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) {
    c_malloc2(vec, 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) {
      c_malloc2(vec, X->Def.LanczosTarget + 1, X->Def.Lanczos_max + 1);
    } else {
      c_malloc2(vec, X->Def.nvec + 1, X->Def.Lanczos_max + 1);
    }
  }

  if (X->Def.iCalcType == FullDiag) {
    d_malloc1(X->Phys.all_num_down, X->Check.idim_max + 1);
    d_malloc1(X->Phys.all_num_up, X->Check.idim_max + 1);
    d_malloc1(X->Phys.all_energy, X->Check.idim_max + 1);
    d_malloc1(X->Phys.all_doublon, X->Check.idim_max + 1);
    d_malloc1(X->Phys.all_sz, X->Check.idim_max + 1);
    d_malloc1(X->Phys.all_s2, X->Check.idim_max + 1);
    c_malloc2(Ham, X->Check.idim_max + 1, X->Check.idim_max + 1);
    c_malloc2(L_vec, 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) {
    d_malloc1(X->Phys.all_num_down, X->Def.k_exct);
    d_malloc1(X->Phys.all_num_up, X->Def.k_exct);
    d_malloc1(X->Phys.all_energy, X->Def.k_exct);
    d_malloc1(X->Phys.all_doublon, X->Def.k_exct);
    d_malloc1(X->Phys.all_sz, X->Def.k_exct);
    d_malloc1(X->Phys.all_s2, X->Def.k_exct);
  }
  fprintf(stdoutMPI, "%s", cProFinishAlloc);
  return 0;
}

Variable Documentation

mfint

unsigned long int mfint[7]

static

Definition at line 34 of file xsetmem.c.

Referenced by check(), and Lanczos_EigenValue().