mod CheckMPI.c

issp-center-dev · Apr 17, 2024 · f1e5a84 · f1e5a84
1 parent 8faa525
commit f1e5a84
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Showing 3 changed files with 67 additions and 9 deletions.
diff --git a/src/CheckMPI.c b/src/CheckMPI.c
@@ -82,7 +82,6 @@ int CheckMPI(struct BindStruct *X/**< [inout] */)
     switch (X->Def.iCalcModel) /*2 (inner)*/ {
 
     case Hubbard:
-    case tJ:
       /**@brief
       <li>For canonical Hubbard
       DefineList::Nup, DefineList::Ndown, and DefineList::Ne should be
@@ -109,9 +108,33 @@ int CheckMPI(struct BindStruct *X/**< [inout] */)
 
       break;/*case Hubbard:*/
 
+    case tJ:
+      /**@brief
+      <li>For canonical Hubbard
+      DefineList::Nup, DefineList::Ndown, and DefineList::Ne should be
+      differerent in each PE.</li>
+      */
+      SmallDim = myrank;
+      for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++) {
+        SpinNum = SmallDim % 4;
+        SmallDim /= 4;
+        if (SpinNum == 1 /*01*/) {
+          X->Def.Nup -= 1;
+          X->Def.Ne -= 1;
+        }
+        else if (SpinNum == 2 /*10*/) {
+          X->Def.Ndown -= 1;
+          X->Def.Ne -= 1;
+        }
+        /*else if (SpinNum == 3 //11){
+          X->Def.Nup -= 1;
+          X->Def.Ndown -= 1;
+          X->Def.Ne -= 2;
+        }*/
+      } /*for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++)*/
+      break;/*case tJ:*/
+
     case HubbardNConserved:
-    case tJNConserved:
-    case tJGC:/*is this correct?*/
       /**@brief
       <li>For N-conserved canonical Hubbard
       DefineList::Ne should be differerent in each PE.</li>
@@ -126,6 +149,21 @@ int CheckMPI(struct BindStruct *X/**< [inout] */)
 
       break; /*case HubbardNConserved:*/
 
+    case tJNConserved:
+    case tJGC:/*is this correct?*/
+      /**@brief
+      <li>For N-conserved canonical Hubbard
+      DefineList::Ne should be differerent in each PE.</li>
+      */
+      SmallDim = myrank;
+      for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++) {
+        SpinNum = SmallDim % 4;
+        SmallDim /= 4;
+        if (SpinNum == 1 /*01*/ || SpinNum == 2 /*10*/) X->Def.Ne -= 1;
+        //else if (SpinNum == 3 /*11*/) X->Def.Ne -= 2;
+      } /*for (isite = X->Def.Nsite; isite < X->Def.NsiteMPI; isite++)*/
+      break; /*case HubbardNConserved:*/
+
     case KondoGC:
     case Kondo:
       /**@brief

diff --git a/src/check.c b/src/check.c
@@ -129,6 +129,7 @@ int check(struct BindStruct *X){
       comb_down= Binomial(Ns, X->Def.Ne-i, comb, Ns);
       comb_sum +=comb_up*comb_down;
     }
+    //printf("Ns %ld iMinup %d iAllup %d Ne %d comb_sum %ld\n",Ns,iMinup,iAllup,X->Def.Ne,comb_sum);
     break;
 
   case tJ:
@@ -146,17 +147,18 @@ int check(struct BindStruct *X){
 
     for(i=iMinup; i<= iAllup; i++){
       comb_up   = Binomial(Ns, i, comb, Ns);
-      comb_down = Binomial(Ns-i, X->Def.Ne-i, comb, Ns-i);
+      comb_down = Binomial(Ns-i, X->Def.Ne-i, comb, Ns);
       comb_sum += comb_up*comb_down;
     }
+    //printf("Ns %ld iMinup %d iAllup %d Ne %d comb_sum %ld\n",Ns,iMinup,iAllup,X->Def.Ne,comb_sum);
     break;
 
   case tJGC:
     comb_sum=0;
     for(i=0; i<= X->Def.Ne; i++){
       comb_up   = Binomial(Ns, i, comb, Ns);
       for(j=0; j<= X->Def.Ne; j++){
-        comb_down = Binomial(Ns-i, j, comb, Ns-i);
+        comb_down = Binomial(Ns-i, j, comb, Ns);
         comb_sum += comb_up*comb_down;
       }
     }
@@ -413,6 +415,9 @@ int check(struct BindStruct *X){
   case Hubbard:
   case Kondo:
   case KondoNConserved:
+  case tJ:
+  case tJNConserved:
+  case tJGC:
     //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;

diff --git a/src/sz.c b/src/sz.c
@@ -122,7 +122,6 @@ int sz(
     fprintf(stdoutMPI, "%s", cProStartCalcSz);
     TimeKeeper(X, cFileNameSzTimeKeep, cInitalSz, "w");
     TimeKeeper(X, cFileNameTimeKeep, cInitalSz, "a");
-
     if(X->Check.idim_max!=0){
         /*[s] calculating the maximum size of Hilbert dimensions*/
         switch(X->Def.iCalcModel){
@@ -344,7 +343,6 @@ int sz(
                       TimeKeeper(X, cFileNameTimeKeep, cOMPSzMid, "a");
                       icnt = 0;
                       for(ib=0;ib<X->Check.sdim;ib++){
-                          //printf("ib=%lu jb=list_jb[ib]=%lu \n",ib,list_jb[ib]);
                           icnt += omp_sz_tJ(ib,ihfbit, X, list_1_, list_2_1_, list_2_2_, list_jb);
                       }
                       break;
@@ -424,6 +422,9 @@ int sz(
               TimeKeeper(X, cFileNameTimeKeep, cOMPSzFinish, "a");
           }
           /* NConserved -> Normal */
+          // this part is move to the ene of sz.c so that this change is made even 
+          // when idim_max=0
+          /*
           if(X->Def.iFlgCalcSpec == CALCSPEC_NOT){
               if(X->Def.iCalcModel  == HubbardNConserved){
                   X->Def.iCalcModel =  Hubbard;
@@ -435,7 +436,7 @@ int sz(
                   X->Def.iCalcModel  = tJ;
               }
           }
-
+          */
           //Error message
           if(i_max!=X->Check.idim_max){
             //printf("DDD %lu %lu  \n",i_max, X->Check.idim_max);
@@ -449,15 +450,29 @@ int sz(
             fclose(fp_err);
             exitMPI(-1);
           }
-
           free_li_2d_allocate(comb);
     }
     fprintf(stdoutMPI, "%s", cProEndCalcSz);
     free(list_jb);
+
+    /* NConserved -> Normal */
+    if(X->Def.iFlgCalcSpec == CALCSPEC_NOT){
+        if(X->Def.iCalcModel  == HubbardNConserved){
+            X->Def.iCalcModel =  Hubbard;
+        }
+        if(X->Def.iCalcModel  == KondoNConserved){
+            X->Def.iCalcModel  = Kondo;
+        }
+        if(X->Def.iCalcModel  == tJNConserved){
+            X->Def.iCalcModel  = tJ;
+        }
+    }
+
     if(X->Def.iFlgGeneralSpin==TRUE){
         free(list_2_1_Sz);
         free(list_2_2_Sz);
     }
+    BarrierMPI();
     return 0;    
 }