int setmem_large
(
struct BindStruct *X
)
{
int j=0;
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:
lui_malloc1(list_1, X->Check.idim_max+1);
#ifdef MPI
lui_malloc1(list_1buf, idim_maxMPI + 1);
#endif // MPI
if(X->Def.iFlgGeneralSpin==FALSE){
if(X->Def.iCalcModel==Spin &&X->Def.Nsite%2==1){
lui_malloc1(list_2_1, X->Check.sdim*2+2);
for(j=0; j<X->Check.sdim*2+2;j++) list_2_1[j]=0;
}
else{
lui_malloc1(list_2_1, X->Check.sdim+2);
for(j=0; j<X->Check.sdim+2;j++) list_2_1[j]=0;
}
lui_malloc1(list_2_2, X->Check.sdim+2);
lui_malloc1(list_jb, X->Check.sdim+2);
for(j=0; j<X->Check.sdim+2;j++){
list_2_2[j]=0;
list_jb[j]=0;
}
}
else{//for spin-canonical general spin
lui_malloc1(list_2_1, X->Check.sdim+2);
i_malloc1(list_2_1_Sz, X->Check.sdim+2);
lui_malloc1(list_2_2, (X->Def.Tpow[X->Def.Nsite-1]*X->Def.SiteToBit[X->Def.Nsite-1]/X->Check.sdim)+2);
i_malloc1(list_2_2_Sz,(X->Def.Tpow[X->Def.Nsite-1]*X->Def.SiteToBit[X->Def.Nsite-1]/X->Check.sdim)+2);
lui_malloc1(list_jb, (X->Def.Tpow[X->Def.Nsite-1]*X->Def.SiteToBit[X->Def.Nsite-1]/X->Check.sdim)+2);
for(j=0; j<X->Check.sdim+2;j++){
list_2_1[j]=0;
list_2_1_Sz[j]=0;
}
for(j=0; j< (X->Def.Tpow[X->Def.Nsite-1]*X->Def.SiteToBit[X->Def.Nsite-1]/X->Check.sdim)+2; j++){
list_2_2[j]=0;
list_2_2_Sz[j]=0;
list_jb[j]=0;
}
}
if(list_1==NULL
|| list_2_1==NULL
|| list_2_2==NULL
|| list_jb==NULL
)
{
return -1;
}
break;
default:
break;
}
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);
#ifdef MPI
c_malloc1(v1buf, idim_maxMPI + 1);
#endif // MPI
c_malloc1(vg, X->Check.idim_max+1);
d_malloc1(alpha, X->Def.Lanczos_max+1);
d_malloc1(beta, X->Def.Lanczos_max+1);
if(
list_Diagonal==NULL
|| v0==NULL
|| v1==NULL
|| alpha==NULL
|| beta==NULL
|| vg==NULL
){
return -1;
}
c_malloc2(vec,X->Def.nvec+1, X->Def.Lanczos_max+1);
for(j=0; j<X->Def.nvec+1; j++){
if(vec[j]==NULL){
return -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;
}
}
}
fprintf(stdoutMPI, "%s", cProFinishAlloc);
return 0;
}
/**
* @brief A program to check size of dimension for hirbert-space.
*
* @param[in,out] X Common data set used in HPhi.
*
* @retval TRUE normally finished
* @retval FALSE unnormally finished
* @retval MPIFALSE CheckMPI unormally finished
* @version 0.2
* @details add function of calculating hirbert space for canonical ensemble.
*
* @version 0.1
* @author Takahiro Misawa (The University of Tokyo)
* @author Kazuyoshi Yoshimi (The University of Tokyo)
*/
int check(struct BindStruct *X){
FILE *fp;
long unsigned int i,tmp_sdim;
int NLocSpn,NCond,Nup,Ndown;
long unsigned int u_tmp;
long unsigned int tmp;
long unsigned int Ns,comb_1,comb_2,comb_3,comb_sum, comb_up, comb_down;
int u_loc;
int mfint[7];
long int **comb;
long unsigned int idimmax=0;
long unsigned int idim=0;
long unsigned int isite=0;
int tmp_sz=0;
int iMinup=0;
int iAllup=X->Def.Ne;
/*
Set Site number per MPI process
*/
if(CheckMPI(X)!=TRUE){
return MPIFALSE;
}
Ns = X->Def.Nsite;
li_malloc2(comb, Ns+1,Ns+1);
//idim_max
switch(X->Def.iCalcModel){
case HubbardGC:
//comb_sum = 2^(2*Ns)=4^Ns
comb_sum = 1;
for(i=0;i<2*X->Def.Nsite;i++){
comb_sum= 2*comb_sum;
}
break;
case SpinGC:
//comb_sum = 2^(Ns)
comb_sum = 1;
if(X->Def.iFlgGeneralSpin ==FALSE){
for(i=0;i<X->Def.Nsite;i++){
comb_sum= 2*comb_sum;
}
}
else{
for(i=0; i<X->Def.Nsite;i++){
comb_sum=comb_sum*X->Def.SiteToBit[i];
}
}
break;
case Hubbard:
comb_up= Binomial(Ns, X->Def.Nup, comb, Ns);
comb_down= Binomial(Ns, X->Def.Ndown, comb, Ns);
comb_sum=comb_up*comb_down;
break;
case HubbardNConserved:
comb_sum=0;
if(X->Def.Ne > X->Def.Nsite){
iMinup = X->Def.Ne-X->Def.Nsite;
iAllup = X->Def.Nsite;
}
for(i=iMinup; i<= iAllup; i++){
comb_up= Binomial(Ns, i, comb, Ns);
comb_down= Binomial(Ns, X->Def.Ne-i, comb, Ns);
comb_sum +=comb_up*comb_down;
}
break;
case Kondo:
//idim_max
// calculation of dimension
// Nup = u_loc+u_cond
// Ndown = d_loc+d_cond
// NLocSpn = u_loc+d_loc
// Ncond = Nsite-NLocSpn
// idim_max = \sum_{u_loc=0}^{u_loc=Nup}
// Binomial(NLocSpn,u_loc)
// *Binomial(NCond,Nup-u_loc)
// *Binomial(NCond,Ndown+u_loc-NLocSpn)
//comb_1 = Binomial(NLocSpn,u_loc)
//comb_2 = Binomial(NCond,Nup-u_loc)
//comb_3 = Binomial(NCond,Ndown+u_loc-NLocSpn)
Nup = X->Def.Nup;
Ndown = X->Def.Ndown;
NCond = X->Def.Nsite-X->Def.NLocSpn;
NLocSpn = X->Def.NLocSpn;
comb_sum = 0;
for(u_loc=0;u_loc<=X->Def.Nup;u_loc++){
comb_1 = Binomial(NLocSpn,u_loc,comb,Ns);
comb_2 = Binomial(NCond,Nup-u_loc,comb,Ns);
comb_3 = Binomial(NCond,Ndown+u_loc-NLocSpn,comb,Ns);
comb_sum += comb_1*comb_2*comb_3;
}
break;
case KondoGC:
comb_sum = 1;
NCond = X->Def.Nsite-X->Def.NLocSpn;
NLocSpn = X->Def.NLocSpn;
//4^Nc*2^Ns
for(i=0;i<(2*NCond+NLocSpn);i++){
comb_sum= 2*comb_sum;
}
break;
case Spin:
if(X->Def.iFlgGeneralSpin ==FALSE){
if(X->Def.Nup+X->Def.Ndown != X->Def.Nsite){
fprintf(stderr, " 2Sz is incorrect.\n");
return FALSE;
}
comb_sum= Binomial(Ns, X->Def.Ne, comb, Ns);
}
else{
idimmax = 1;
X->Def.Tpow[0]=idimmax;
for(isite=0; isite<X->Def.Nsite;isite++){
idimmax=idimmax*X->Def.SiteToBit[isite];
X->Def.Tpow[isite+1]=idimmax;
}
comb_sum=0;
#pragma omp parallel for default(none) reduction(+:comb_sum) private(tmp_sz, isite) firstprivate(idimmax, X)
for(idim=0; idim<idimmax; idim++){
tmp_sz=0;
for(isite=0; isite<X->Def.Nsite;isite++){
tmp_sz += GetLocal2Sz(isite+1,idim, X->Def.SiteToBit, X->Def.Tpow );
}
if(tmp_sz == X->Def.Total2Sz){
comb_sum +=1;
}
}
}
break;
default:
fprintf(stderr, cErrNoModel, X->Def.iCalcModel);
i_free2(comb, Ns+1, Ns+1);
return FALSE;
}
if(comb_sum==0){
fprintf(stderr, "%s", cErrNoHilbertSpace);
// return FALSE;
}
//fprintf(stdoutMPI, "comb_sum= %ld \n",comb_sum);
X->Check.idim_max = comb_sum;
switch(X->Def.iCalcType){
case Lanczos:
switch(X->Def.iCalcModel){
case Hubbard:
case HubbardNConserved:
case Kondo:
case KondoGC:
case Spin:
X->Check.max_mem=5.5*X->Check.idim_max*8.0/(pow(10,9));
break;
case HubbardGC:
case SpinGC:
X->Check.max_mem=4.5*X->Check.idim_max*8.0/(pow(10,9));
break;
}
break;
case TPQCalc:
switch(X->Def.iCalcModel){
case Hubbard:
case HubbardNConserved:
case Kondo:
case KondoGC:
case Spin:
if(X->Def.iFlgCalcSpec != CALCSPEC_NOT){
X->Check.max_mem=(2)*X->Check.idim_max*16.0/(pow(10,9));
}
else {
X->Check.max_mem = 4.5 * X->Check.idim_max * 16.0 / (pow(10, 9));
}
break;
case HubbardGC:
case SpinGC:
if(X->Def.iFlgCalcSpec != CALCSPEC_NOT){
X->Check.max_mem=(2)*X->Check.idim_max*16.0/(pow(10,9));
}
else {
X->Check.max_mem = 3.5 * X->Check.idim_max * 16.0 / (pow(10, 9));
}
break;
}
break;
case FullDiag:
X->Check.max_mem=X->Check.idim_max*8.0*X->Check.idim_max*8.0/(pow(10,9));
break;
default:
return FALSE;
//break;
}
//fprintf(stdoutMPI, " MAX DIMENSION idim_max=%ld \n",X->Check.idim_max);
//fprintf(stdoutMPI, " APPROXIMATE REQUIRED MEMORY max_mem=%lf GB \n",X->Check.max_mem);
unsigned long int li_dim_max=MaxMPI_li(X->Check.idim_max);
fprintf(stdoutMPI, " MAX DIMENSION idim_max=%ld \n",li_dim_max);
double dmax_mem=MaxMPI_d(X->Check.max_mem);
fprintf(stdoutMPI, " APPROXIMATE REQUIRED MEMORY max_mem=%lf GB \n",dmax_mem);
if(childfopenMPI(cFileNameCheckMemory,"w", &fp)!=0){
i_free2(comb, Ns+1, Ns+1);
return FALSE;
}
fprintf(fp," MAX DIMENSION idim_max=%ld \n", li_dim_max);
fprintf(fp," APPROXIMATE REQUIRED MEMORY max_mem=%lf GB \n", dmax_mem);
/*
fprintf(fp," MAX DIMENSION idim_max=%ld \n",X->Check.idim_max);
fprintf(fp," APPROXIMATE REQUIRED MEMORY max_mem=%lf GB \n",X->Check.max_mem);
*/
fclose(fp);
//sdim
tmp=1;
tmp_sdim=1;
switch(X->Def.iCalcModel){
case HubbardGC:
case KondoGC:
case HubbardNConserved:
case Hubbard:
case Kondo:
while(tmp <= X->Def.Nsite){
tmp_sdim=tmp_sdim*2;
tmp+=1;
}
break;
case Spin:
case SpinGC:
if(X->Def.iFlgGeneralSpin==FALSE){
while(tmp <= X->Def.Nsite/2){
tmp_sdim=tmp_sdim*2;
tmp+=1;
}
}
else{
GetSplitBitForGeneralSpin(X->Def.Nsite, &tmp_sdim, X->Def.SiteToBit);
}
break;
default:
fprintf(stdoutMPI, cErrNoModel, X->Def.iCalcModel);
i_free2(comb, Ns+1, Ns+1);
return FALSE;
}
X->Check.sdim=tmp_sdim;
if(childfopenMPI(cFileNameCheckSdim,"w", &fp)!=0){
i_free2(comb, Ns+1, Ns+1);
return FALSE;
}
switch(X->Def.iCalcModel){
case HubbardGC:
case KondoGC:
case HubbardNConserved:
case Hubbard:
case Kondo:
//fprintf(stdoutMPI, "sdim=%ld =2^%d\n",X->Check.sdim,X->Def.Nsite);
fprintf(fp,"sdim=%ld =2^%d\n",X->Check.sdim,X->Def.Nsite);
break;
case Spin:
case SpinGC:
if(X->Def.iFlgGeneralSpin==FALSE){
//fprintf(stdoutMPI, "sdim=%ld =2^%d\n",X->Check.sdim,X->Def.Nsite/2);
fprintf(fp,"sdim=%ld =2^%d\n",X->Check.sdim,X->Def.Nsite/2);
}
break;
default:
break;
}
i_free2(comb, Ns+1, Ns+1);
u_tmp=1;
X->Def.Tpow[0]=u_tmp;
switch(X->Def.iCalcModel){
case HubbardGC:
case KondoGC:
for(i=1;i<=2*X->Def.Nsite;i++){
u_tmp=u_tmp*2;
X->Def.Tpow[i]=u_tmp;
fprintf(fp,"%ld %ld \n",i,u_tmp);
}
break;
case HubbardNConserved:
case Hubbard:
case Kondo:
for(i=1;i<=2*X->Def.Nsite-1;i++){
u_tmp=u_tmp*2;
X->Def.Tpow[i]=u_tmp;
fprintf(fp,"%ld %ld \n",i,u_tmp);
}
break;
case SpinGC:
if(X->Def.iFlgGeneralSpin==FALSE){
for(i=1;i<=X->Def.Nsite;i++){
u_tmp=u_tmp*2;
X->Def.Tpow[i]=u_tmp;
fprintf(fp,"%ld %ld \n",i,u_tmp);
}
}
else{
X->Def.Tpow[0]=u_tmp;
fprintf(fp,"%d %ld \n", 0, u_tmp);
for(i=1;i<X->Def.Nsite;i++){
u_tmp=u_tmp*X->Def.SiteToBit[i-1];
X->Def.Tpow[i]=u_tmp;
fprintf(fp,"%ld %ld \n",i,u_tmp);
}
}
break;
case Spin:
if(X->Def.iFlgGeneralSpin==FALSE){
for(i=1;i<=X->Def.Nsite-1;i++){
u_tmp=u_tmp*2;
X->Def.Tpow[i]=u_tmp;
fprintf(fp,"%ld %ld \n",i,u_tmp);
}
}
else{
for(i=0;i<X->Def.Nsite;i++){
fprintf(fp,"%ld %ld \n",i,X->Def.Tpow[i]);
}
}
break;
default:
fprintf(stdoutMPI, cErrNoModel, X->Def.iCalcModel);
i_free2(comb, Ns+1, Ns+1);
return FALSE;
}
fclose(fp);
/*
Print MPI-site information and Modify Tpow
in the inter process region.
*/
CheckMPI_Summary(X);
return TRUE;
}