- Timestamp:
- Apr 18, 2008, 1:16:29 PM (17 years ago)
- Children:
- 719746
- Parents:
- 0e5e82
- File:
-
- 1 edited
Legend:
- Unmodified
- Added
- Removed
-
TabularUnified pcp/src/run.c ¶
r0e5e82 r4931e0 381 381 int i; 382 382 if (R->LevSNo <= R->InitLevSNo) { 383 fprintf(stderr, "(%i) ChangeLevUp: LevSNo(%i) <= InitLevSNo(%i)\n", P->Par.me, R->LevSNo, R->InitLevSNo); 383 if (P->Call.out[LeaderOut] && (P->Par.me == 0)) 384 fprintf(stderr, "(%i) ChangeLevUp: LevSNo(%i) <= InitLevSNo(%i)\n", P->Par.me, R->LevSNo, R->InitLevSNo); 384 385 *Stop = 1; 385 386 return; … … 561 562 break; 562 563 case UnOccupied: 563 fprintf(stderr, " (%i) -------------------------> ARelTGE: %e\tARelKGE: %e\n", P->Par.me, R->ActualRelTotalEnergy[0], R->ActualRelKineticEnergy[0]);564 fprintf(stderr, "ARelTGE: %e\tARelKGE: %e\n", R->ActualRelTotalEnergy[0], R->ActualRelKineticEnergy[0]); 564 565 break; 565 566 } … … 745 746 if (!ReadSrcPsiDensity(P,Occupied,1, R->LevSNo)) { // if file for level exists and desired, read from file 746 747 P->Call.ReadSrcFiles = 0; // -r was bogus, remove it, have to start anew 747 fprintf(stderr,"(%i) Re-initializing, files are missing/corrupted...\n", P->Par.me);748 if(P->Call.out[MinOut]) fprintf(stderr,"(%i) Re-initializing, files are missing/corrupted...\n", P->Par.me); 748 749 InitPsisValue(P, Psi->TypeStartIndex[Occupied], Psi->TypeStartIndex[Occupied+1]); // initialize perturbed array for this run 749 750 ResetGramSchTagType(P, Psi, Occupied, NotOrthogonal); // loaded values are orthonormal … … 753 754 } else { 754 755 SpeedMeasure(P, InitSimTime, StartTimeDo); 755 fprintf(stderr,"(%i) Reading from file...\n", P->Par.me);756 if(P->Call.out[MinOut]) fprintf(stderr,"(%i) Reading from file...\n", P->Par.me); 756 757 ReadSrcPsiDensity(P, Occupied, 0, R->LevSNo); 757 758 ResetGramSchTagType(P, Psi, Occupied, IsOrthonormal); // loaded values are orthonormal … … 773 774 } 774 775 if (P->Call.ReadSrcFiles != 1) { // otherwise minimise oneself 775 fprintf(stderr,"(%i)Beginning minimisation of type %s ...\n", P->Par.me, R->MinimisationName[Occupied]);776 if(P->Call.out[LeaderOut]) fprintf(stderr,"(%i)Beginning minimisation of type %s ...\n", P->Par.me, R->MinimisationName[Occupied]); 776 777 while (*Stop != 1) { // loop testing condition over all Psis 777 778 // in the following loop, we have two cases: … … 799 800 // if we stepped on to a new Psi, which is already down at DoBrent=1 unlike the last one, 800 801 // then an up-to-date gradient is missing for the following Brent line search 801 fprintf(stderr,"(%i) We stepped on to a new Psi, which is already in the Brent regime ...re-calc delta\n", P->Par.me);802 if(P->Call.out[LeaderOut]) fprintf(stderr,"(%i) We stepped on to a new Psi, which is already in the Brent regime ...re-calc delta\n", P->Par.me); 802 803 memcpy(LevS->LPsi->OldLocalPsi[R->ActualLocalPsiNo], LevS->LPsi->LocalPsi[R->ActualLocalPsiNo], ElementSize*LevS->MaxG*sizeof(double)); // restore old Psi from OldPsi 803 804 //fprintf(stderr,"(%i) Psi %i at %p stored in OldPsi at %p: Old[0] %lg+i%lg\n", P->Par.me, R->ActualLocalPsiNo, LevS->LPsi->LocalPsi[R->ActualLocalPsiNo], LevS->LPsi->OldLocalPsi[R->ActualLocalPsiNo], LevS->LPsi->OldLocalPsi[R->ActualLocalPsiNo][0].re, LevS->LPsi->OldLocalPsi[R->ActualLocalPsiNo][0].im); … … 856 857 CalculateEnergy(P); 857 858 858 fprintf(stderr,"(%i) Preparing brent with f(a) (%lg,%lg)\t f(b) (%lg,%lg)\t f(m) (%lg,%lg) ...\n", P->Par.me,a,f_a,b,f_b,m,f_m);859 if(P->Call.out[ValueOut]) fprintf(stderr,"(%i) Preparing brent with f(a) (%lg,%lg)\t f(b) (%lg,%lg)\t f(m) (%lg,%lg) ...\n", P->Par.me,a,f_a,b,f_b,m,f_m); 859 860 iter=0; 860 861 gsl_min_fminimizer_set_with_values (s, &F, m, f_m, a, f_a, b, f_b); 861 fprintf (stderr,"(%i) using %s method\n",P->Par.me, gsl_min_fminimizer_name (s));862 fprintf (stderr,"(%i) %5s [%9s, %9s] %9s %9s\n",P->Par.me, "iter", "lower", "upper", "min", "err(est)");863 fprintf (stderr,"(%i) %5d [%.7f, %.7f] %.7f %.7f\n",P->Par.me, iter, a, b, m, b - a);862 if(P->Call.out[ValueOut]) fprintf (stderr,"(%i) using %s method\n",P->Par.me, gsl_min_fminimizer_name (s)); 863 if(P->Call.out[ValueOut]) fprintf (stderr,"(%i) %5s [%9s, %9s] %9s %9s\n",P->Par.me, "iter", "lower", "upper", "min", "err(est)"); 864 if(P->Call.out[ValueOut]) fprintf (stderr,"(%i) %5d [%.7f, %.7f] %.7f %.7f\n",P->Par.me, iter, a, b, m, b - a); 864 865 do { 865 866 iter++; … … 873 874 874 875 if (status == GSL_SUCCESS) 875 fprintf (stderr,"(%i) Converged:\n",P->Par.me);876 if(P->Call.out[ValueOut]) fprintf (stderr,"(%i) Converged:\n",P->Par.me); 876 877 877 fprintf (stderr,"(%i) %5d [%.7f, %.7f] %.7f %.7f\n",P->Par.me,878 if(P->Call.out[ValueOut]) fprintf (stderr,"(%i) %5d [%.7f, %.7f] %.7f %.7f\n",P->Par.me, 878 879 iter, a, b, m, b - a); 879 880 } while (status == GSL_CONTINUE && iter < max_iter); … … 963 964 if (P->Call.ReadSrcFiles && ReadSrcPsiDensity(P,UnOccupied,1, R->LevSNo)) { 964 965 SpeedMeasure(P, InitSimTime, StartTimeDo); 965 fprintf(stderr,"(%i) Reading from file...\n", P->Par.me);966 if(P->Call.out[MinOut]) fprintf(stderr, "(%i) Re-initializing %s psi array from source file of recent calculation\n", P->Par.me, R->MinimisationName[R->CurrentMin]); 966 967 ReadSrcPsiDensity(P, UnOccupied, 0, R->LevSNo); 967 968 if (P->Call.ReadSrcFiles != 2) { … … 997 998 R->LevS->Step++; 998 999 EnergyOutput(P,0); 999 fprintf(stderr,"(%i)Beginning minimisation of type %s ...\n", P->Par.me, R->MinimisationName[UnOccupied]);1000 if(P->Call.out[LeaderOut]) fprintf(stderr,"(%i)Beginning minimisation of type %s ...\n", P->Par.me, R->MinimisationName[R->CurrentMin]); 1000 1001 while (*Stop != 1) { 1001 1002 CalculateNewWave(P,NULL); … … 1334 1335 if (P->Par.me == 0) fprintf (stderr,"(%i) converged to minimum at\n", P->Par.me); 1335 1336 1336 if (P->Par.me == 0) fprintf (stderr, "(%i) %5d %10.5f\n", P->Par.me, (int)iter, s->f); 1337 //if (P->Call.out[NormalOut]) fprintf(stderr,"(%i) Commencing '%s' step %i ... \n",P->Par.me, gsl_multimin_fdfminimizer_name(s), P->R.StructOptStep); 1338 if ((P->Call.out[NormalOut]) && (P->Par.me == 0)) fprintf (stderr, "(%i) %5d %10.5f\n", P->Par.me, (int)iter, s->f); 1337 1339 } while (status == GSL_CONTINUE && iter < Run->MaxOuterStep); 1338 1340
Note:
See TracChangeset
for help on using the changeset viewer.