Changeset 3c11d9 for pcp

Timestamp:

Apr 21, 2008, 2:19:25 PM (17 years ago)

Author:

Frederik Heber <heber@…>

Children:

3716b2

Parents:

ef282f

git-author:

Frederik Heber <heber@…> (04/18/08 16:11:02)

git-committer:

Frederik Heber <heber@…> (04/21/08 14:19:25)

Message:

verbosity changes

File:

• pcp/src/init.c (modified) (4 diffs)

pcp/src/init.c

@@ -449 +449 @@
   // fill gathered results into GlobalGArray
   //if (P->Call.out[LeaderOut]) 
-  fprintf(stderr,"(%i) MaxPE %i / myPE %i, AllMaxG %i / MaxG %i / Lev->MaxG %i, TotalAllMaxG %i\n", P->Par.me, MaxPE, myPE, AllMaxG, MaxG, Lev->MaxG, Lev->TotalAllMaxG);
+  fprintf(stderr,"(%i) MaxPE %i / myPE %i, AllMaxG %i / MaxG %i / Lev->MaxG %i, TotalAllMaxG %i, ECut %lg\n", P->Par.me, MaxPE, myPE, AllMaxG, MaxG, Lev->MaxG, Lev->TotalAllMaxG, Lev->ECut/4.);   // Ecut is in Rydberg
   base = 0;
   for (i=0;i<MaxPE; i++) {  // go through every process 
@@ -1078 +1078 @@
     Lat->Psi.AddData[i].WannierSpread = 0.;
     for (j=0;j<NDIM;j++)
-      Lat->Psi.AddData[i].WannierCentre[j] = 0. ; //Lat->RealBasisQ[j]/2.;
+      Lat->Psi.AddData[i].WannierCentre[j] = 0. ;
   }
   // lambda contains H eigenvalues
@@ -1147 +1147 @@
     Lat->Lev[i].LPsi->OldLocalPsi = (fftw_complex **)
       Malloc(((Lat->Psi.TypeStartIndex[Perturbed_P0] - Lat->Psi.TypeStartIndex[Occupied])+1)*sizeof(fftw_complex *),"InitPsi: OldLocalPsi");
-    for (j=Lat->Psi.TypeStartIndex[Occupied]; j <= Lat->Psi.TypeStartIndex[UnOccupied]; j++) {  // OldPsis are only needed during the Wannier procedure
+    for (j=Lat->Psi.TypeStartIndex[Occupied]; j < Lat->Psi.TypeStartIndex[Perturbed_P0]; j++) {  // OldPsis are only needed during the Wannier procedure
       if (CreateOld)
         Lat->Lev[i].LPsi->OldLocalPsi[j] = &Lat->Lev[i].LPsi->OldPsiDat[j*Lat->Lev[1].MaxG];
@@ -1984 +1984 @@
   InitDensity(P);
   if (P->Call.ReadSrcFiles) {
-    if (ReadSrcIons(P) && P->Call.out[NormalOut])
-      fprintf(stderr,"(%i) Ionic structure read successfully.\n", P->Par.me);
-    else
-      fprintf(stderr,"(%i) No readible Ionic structure found.\n", P->Par.me);
+    if (ReadSrcIons(P)) {
+      if (P->Call.out[NormalOut]) fprintf(stderr,"(%i) Ionic structure read successfully.\n", P->Par.me);
+    } else {
+      if (P->Call.out[NormalOut]) fprintf(stderr,"(%i) No readible Ionic structure found.\n", P->Par.me);
+    }
   } else {
     InitPsisValue(P, 0, P->Lat.Psi.TypeStartIndex[Perturbed_P0]);