Esempio n. 1
0
int main(int argc, char **argv)
{
  /* -------Initialize and Get the parameters from command line ------*/
  PetscInitialize(&argc, &argv, PETSC_NULL, PETSC_NULL);
  PetscPrintf(PETSC_COMM_WORLD,"--------Initializing------ \n");
  PetscErrorCode ierr;

  PetscBool flg;

  int myrank;
  MPI_Comm_rank(MPI_COMM_WORLD,&myrank);
  if(myrank==0) 
    mma_verbose=1;
    
  /*-------------------------------------------------*/
  int Mx,My,Mz,Mzslab, Npmlx,Npmly,Npmlz,DegFree, anisotropic;

  PetscOptionsGetInt(PETSC_NULL,"-Nx",&Nx,&flg);  MyCheckAndOutputInt(flg,Nx,"Nx","Nx");
  PetscOptionsGetInt(PETSC_NULL,"-Ny",&Ny,&flg);  MyCheckAndOutputInt(flg,Ny,"Ny","Nx");
  PetscOptionsGetInt(PETSC_NULL,"-Nz",&Nz,&flg);  MyCheckAndOutputInt(flg,Nz,"Nz","Nz");
  PetscOptionsGetInt(PETSC_NULL,"-Mx",&Mx,&flg);  MyCheckAndOutputInt(flg,Mx,"Mx","Mx");
  PetscOptionsGetInt(PETSC_NULL,"-My",&My,&flg);  MyCheckAndOutputInt(flg,My,"My","My");
  PetscOptionsGetInt(PETSC_NULL,"-Mz",&Mz,&flg);  MyCheckAndOutputInt(flg,Mz,"Mz","Mz");
  PetscOptionsGetInt(PETSC_NULL,"-Mzslab",&Mzslab,&flg);  MyCheckAndOutputInt(flg,Mzslab,"Mzslab","Mzslab");
  PetscOptionsGetInt(PETSC_NULL,"-Npmlx",&Npmlx,&flg);  MyCheckAndOutputInt(flg,Npmlx,"Npmlx","Npmlx");
  PetscOptionsGetInt(PETSC_NULL,"-Npmly",&Npmly,&flg);  MyCheckAndOutputInt(flg,Npmly,"Npmly","Npmly");
  PetscOptionsGetInt(PETSC_NULL,"-Npmlz",&Npmlz,&flg);  MyCheckAndOutputInt(flg,Npmlz,"Npmlz","Npmlz");

  Nxyz = Nx*Ny*Nz;

  // if anisotropic !=0, Degree of Freedom = 3*Mx*My*Mz; else DegFree = Mx*My*Mz;
  PetscOptionsGetInt(PETSC_NULL,"-anisotropic",&anisotropic,&flg);
  if(!flg) anisotropic = 0; // by default, it is isotropc.
  DegFree = (anisotropic ? 3 : 1 )*Mx*My*((Mzslab==0)?Mz:1); 
  PetscPrintf(PETSC_COMM_WORLD," the Degree of Freedoms is %d \n ", DegFree);
  
  int DegFreeAll=DegFree+1;
  PetscPrintf(PETSC_COMM_WORLD," the Degree of Freedoms ALL is %d \n ", DegFreeAll);

  int BCPeriod, Jdirection, Jdirectiontwo, LowerPML;
  int bx[2], by[2], bz[2];
  PetscOptionsGetInt(PETSC_NULL,"-BCPeriod",&BCPeriod,&flg);  MyCheckAndOutputInt(flg,BCPeriod,"BCPeriod","BCPeriod given");
  PetscOptionsGetInt(PETSC_NULL,"-Jdirection",&Jdirection,&flg);  MyCheckAndOutputInt(flg,Jdirection,"Jdirection","Diapole current direction");
  PetscOptionsGetInt(PETSC_NULL,"-Jdirectiontwo",&Jdirectiontwo,&flg);  MyCheckAndOutputInt(flg,Jdirectiontwo,"Jdirectiontwo","Diapole current direction for source two");
  PetscOptionsGetInt(PETSC_NULL,"-LowerPML",&LowerPML,&flg);  MyCheckAndOutputInt(flg,LowerPML,"LowerPML","PML in the lower xyz boundary");
  PetscOptionsGetInt(PETSC_NULL,"-bxl",bx,&flg);  MyCheckAndOutputInt(flg,bx[0],"bxl","BC at x lower");
  PetscOptionsGetInt(PETSC_NULL,"-bxu",bx+1,&flg);  MyCheckAndOutputInt(flg,bx[1],"bxu","BC at x upper");
  PetscOptionsGetInt(PETSC_NULL,"-byl",by,&flg);  MyCheckAndOutputInt(flg,by[0],"byl","BC at y lower");
  PetscOptionsGetInt(PETSC_NULL,"-byu",by+1,&flg);  MyCheckAndOutputInt(flg,by[1],"byu","BC at y upper");
  PetscOptionsGetInt(PETSC_NULL,"-bzl",bz,&flg);  MyCheckAndOutputInt(flg,bz[0],"bzl","BC at z lower");
  PetscOptionsGetInt(PETSC_NULL,"-bzu",bz+1,&flg);  MyCheckAndOutputInt(flg,bz[1],"bzu","BC at z upper");


  double  epssub, RRT, sigmax, sigmay, sigmaz ;
   
  PetscOptionsGetReal(PETSC_NULL,"-hx",&hx,&flg);  MyCheckAndOutputDouble(flg,hx,"hx","hx");
  hy = hx;
  hz = hx;
  hxyz = (Nz==1)*hx*hy + (Nz>1)*hx*hy*hz;  

  double omega, omegaone, omegatwo, wratio;
  PetscOptionsGetReal(PETSC_NULL,"-omega",&omega,&flg);  MyCheckAndOutputDouble(flg,omega,"omega","omega");
   PetscOptionsGetReal(PETSC_NULL,"-wratio",&wratio,&flg);  MyCheckAndOutputDouble(flg,wratio,"wratio","wratio");
  omegaone=omega;
  omegatwo=wratio*omega;
  PetscPrintf(PETSC_COMM_WORLD,"---omegaone is %.16e and omegatwo is %.16e ---\n",omegaone, omegatwo);

  PetscOptionsGetReal(PETSC_NULL,"-Qabs",&Qabs,&flg); 
  if (flg && Qabs>1e+15)
    Qabs=1.0/0.0;
  MyCheckAndOutputDouble(flg,Qabs,"Qabs","Qabs");
  PetscOptionsGetReal(PETSC_NULL,"-epsair",&epsair,&flg);  MyCheckAndOutputDouble(flg,epsair,"epsair","epsair");
  PetscOptionsGetReal(PETSC_NULL,"-epssub",&epssub,&flg);  MyCheckAndOutputDouble(flg,epssub,"epssub","epssub");
  PetscOptionsGetReal(PETSC_NULL,"-RRT",&RRT,&flg);  MyCheckAndOutputDouble(flg,RRT,"RRT","RRT given");
  sigmax = pmlsigma(RRT,Npmlx*hx);
  sigmay = pmlsigma(RRT,Npmly*hy);
  sigmaz = pmlsigma(RRT,Npmlz*hz);  
  PetscPrintf(PETSC_COMM_WORLD,"----sigmax is %.12e \n",sigmax);
  PetscPrintf(PETSC_COMM_WORLD,"----sigmay is %.12e \n",sigmay);
  PetscPrintf(PETSC_COMM_WORLD,"----sigmaz is %.12e \n",sigmaz);

  char initialdata[PETSC_MAX_PATH_LEN]; //filenameComm[PETSC_MAX_PATH_LEN];
  PetscOptionsGetString(PETSC_NULL,"-initialdata",initialdata,PETSC_MAX_PATH_LEN,&flg); MyCheckAndOutputChar(flg,initialdata,"initialdata","Inputdata file");
  PetscOptionsGetString(PETSC_NULL,"-filenameComm",filenameComm,PETSC_MAX_PATH_LEN,&flg); MyCheckAndOutputChar(flg,filenameComm,"filenameComm","Output filenameComm");


  // add cx, cy, cz to indicate where the diapole current is;

  int cx, cy, cz;
  PetscOptionsGetInt(PETSC_NULL,"-cx",&cx,&flg); 
  if (!flg)
    {cx=(LowerPML)*floor(Nx/2); PetscPrintf(PETSC_COMM_WORLD,"cx is %d by default \n",cx);}
  else
    {PetscPrintf(PETSC_COMM_WORLD,"the current poisiont cx is %d \n",cx);}
  

  PetscOptionsGetInt(PETSC_NULL,"-cy",&cy,&flg); 
  if (!flg)
    {cy=(LowerPML)*floor(Ny/2); PetscPrintf(PETSC_COMM_WORLD,"cy is %d by default \n",cy);}
 else
    {PetscPrintf(PETSC_COMM_WORLD,"the current poisiont cy is %d \n",cy);}
  

  PetscOptionsGetInt(PETSC_NULL,"-cz",&cz,&flg); 
  if (!flg)
    {cz=(LowerPML)*floor(Nz/2); PetscPrintf(PETSC_COMM_WORLD,"cz is %d by default \n",cz);}
  else
    {PetscPrintf(PETSC_COMM_WORLD,"the current poisiont cz is %d \n",cz);}
    
  posj = (cx*Ny+ cy)*Nz + cz;
  PetscPrintf(PETSC_COMM_WORLD,"the posj is %d \n. ", posj);

  int fixpteps;
  PetscOptionsGetInt(PETSC_NULL,"-fixpteps",&fixpteps,&flg);  MyCheckAndOutputInt(flg,fixpteps,"fixpteps","fixpteps");

  // Get minapproach;
  PetscOptionsGetInt(PETSC_NULL,"-minapproach",&minapproach,&flg);  MyCheckAndOutputInt(flg,minapproach,"minapproach","minapproach");
   
  // Get withepsinldos;
  PetscOptionsGetInt(PETSC_NULL,"-withepsinldos",&withepsinldos,&flg);  MyCheckAndOutputInt(flg,withepsinldos,"withepsinldos","withepsinldos");
  
  // Get outputbase;
  PetscOptionsGetInt(PETSC_NULL,"-outputbase",&outputbase,&flg);  MyCheckAndOutputInt(flg,outputbase,"outputbase","outputbase");
  // Get cavityverbose;
  PetscOptionsGetInt(PETSC_NULL,"-cavityverbose",&cavityverbose,&flg);
  if(!flg) cavityverbose=0;
  PetscPrintf(PETSC_COMM_WORLD,"the cavity verbose is set as %d \n", cavityverbose); 
  // Get refinedldos;
  PetscOptionsGetInt(PETSC_NULL,"-refinedldos",&refinedldos,&flg);
  if(!flg) refinedldos=0;
  PetscPrintf(PETSC_COMM_WORLD,"the refinedldos is set as %d \n", refinedldos);
  // Get cmpwrhs;
  int cmpwrhs;
   PetscOptionsGetInt(PETSC_NULL,"-cmpwrhs",&cmpwrhs,&flg);
  if(!flg) cmpwrhs=0;
  PetscPrintf(PETSC_COMM_WORLD,"the cmpwrhs is set as %d \n", cmpwrhs);
  // Get lrzsqr;
   PetscOptionsGetInt(PETSC_NULL,"-lrzsqr",&lrzsqr,&flg);
  if(!flg) lrzsqr=0;
  PetscPrintf(PETSC_COMM_WORLD,"the lrzsqr is set as %d \n", lrzsqr);
  // Get newQdef;
   PetscOptionsGetInt(PETSC_NULL,"-newQdef",&newQdef,&flg);
  if(!flg) newQdef=0;
  PetscPrintf(PETSC_COMM_WORLD,"the newQdef is set as %d \n", newQdef);
  /*--------------------------------------------------------*/

  /*--------------------------------------------------------*/


  /*---------- Set the current source---------*/
  //Mat D; //ImaginaryIMatrix;
  ImagIMat(PETSC_COMM_WORLD, &D,6*Nxyz);

  Vec J;
  ierr = VecCreateMPI(PETSC_COMM_WORLD, PETSC_DECIDE, 6*Nxyz, &J);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) J, "Source");CHKERRQ(ierr);
  VecSet(J,0.0); //initialization;

  if (Jdirection == 1)
    SourceSingleSetX(PETSC_COMM_WORLD, J, Nx, Ny, Nz, cx, cy, cz,1.0/hxyz);
  else if (Jdirection ==2)
    SourceSingleSetY(PETSC_COMM_WORLD, J, Nx, Ny, Nz, cx, cy, cz,1.0/hxyz);
  else if (Jdirection == 3)
    SourceSingleSetZ(PETSC_COMM_WORLD, J, Nx, Ny, Nz, cx, cy, cz,1.0/hxyz);
  else
    PetscPrintf(PETSC_COMM_WORLD," Please specify correct direction of current: x (1) , y (2) or z (3)\n "); 

  Vec Jtwo;
  ierr = VecDuplicate(J, &Jtwo);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) Jtwo, "Sourcetwo");CHKERRQ(ierr);
  VecSet(Jtwo,0.0); //initialization;

  if (Jdirectiontwo == 1)
    SourceSingleSetX(PETSC_COMM_WORLD, Jtwo, Nx, Ny, Nz, cx, cy, cz,1.0/hxyz);
  else if (Jdirectiontwo ==2)
    SourceSingleSetY(PETSC_COMM_WORLD, Jtwo, Nx, Ny, Nz, cx, cy, cz,1.0/hxyz);
  else if (Jdirectiontwo == 3)
    SourceSingleSetZ(PETSC_COMM_WORLD, Jtwo, Nx, Ny, Nz, cx, cy, cz,1.0/hxyz);
  else
    PetscPrintf(PETSC_COMM_WORLD," Please specify correct direction of current two: x (1) , y (2) or z (3)\n "); 


  //Vec b; // b= i*omega*J;
  Vec bone, btwo;

  ierr = VecDuplicate(J,&b);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) b, "rhsone");CHKERRQ(ierr);

  ierr = VecDuplicate(J,&bone);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) bone, "rhsone");CHKERRQ(ierr);

  ierr = VecDuplicate(Jtwo,&btwo);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) btwo, "rhstwo");CHKERRQ(ierr);

  if (cmpwrhs==0)
    {
      ierr = MatMult(D,J,b);CHKERRQ(ierr);
      ierr = MatMult(D,Jtwo,btwo);CHKERRQ(ierr);
      
      VecCopy(b,bone);
      VecScale(bone,omegaone);

      VecScale(btwo,omegatwo);

      VecScale(b,omega);      
    }
  else
    {
      double complex cmpiomega;
      cmpiomega = cpow(1+I/Qabs,newQdef+1);
      double sqrtiomegaR = -omega*cimag(csqrt(cmpiomega));
      double sqrtiomegaI = omega*creal(csqrt(cmpiomega));
      PetscPrintf(PETSC_COMM_WORLD,"the real part of sqrt cmpomega is %g and imag sqrt is % g ", sqrtiomegaR, sqrtiomegaI);
      Vec tmpi;
      ierr = VecDuplicate(J,&tmpi);
      VecSet(b,0.0);
      VecSet(tmpi,0.0);
      CmpVecScale(J,b,sqrtiomegaR,sqrtiomegaI,D,tmpi);
      VecDestroy(&tmpi);
    }

  /*-------Get the weight vector ------------------*/
  //Vec weight;
  ierr = VecDuplicate(J,&weight); CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) weight, "weight");CHKERRQ(ierr);

  if(LowerPML==0)
    GetWeightVec(weight, Nx, Ny,Nz); // new code handles both 3D and 2D;
  else
    VecSet(weight,1.0);

  Vec weightedJ;
  ierr = VecDuplicate(J,&weightedJ); CHKERRQ(ierr);
  ierr = VecPointwiseMult(weightedJ,J,weight);
  ierr = PetscObjectSetName((PetscObject) weightedJ, "weightedJ");CHKERRQ(ierr);

  Vec weightedJtwo;
  ierr = VecDuplicate(Jtwo,&weightedJtwo); CHKERRQ(ierr);
  ierr = VecPointwiseMult(weightedJtwo,Jtwo,weight);
  ierr = PetscObjectSetName((PetscObject) weightedJtwo, "weightedJtwo");CHKERRQ(ierr);

  //Vec vR;
  ierr = VecDuplicate(J,&vR); CHKERRQ(ierr);
  GetRealPartVec(vR, 6*Nxyz);

  // VecFReal;
  if (lrzsqr)
    { ierr = VecDuplicate(J,&epsFReal); CHKERRQ(ierr); 
      ierr = PetscObjectSetName((PetscObject) epsFReal, "epsFReal");CHKERRQ(ierr);

      if (newQdef==0)
	{
	  sqrtomegaI = omega*cimag(csqrt(1+I/Qabs));
	  PetscPrintf(PETSC_COMM_WORLD,"the real part of sqrt cmpomega is %g and imag sqrt is % g ", omega*creal(csqrt(1+I/Qabs)), sqrtomegaI);
	  betar = 2*sqrtomegaI;
	  betai = betar/Qabs;
	}
      else
	{
	  double gamma;
	  gamma = omega/Qabs;
	  betar = 2*gamma*(1-1.0/pow(Qabs,2));
	  betai = 2*gamma*(2.0/Qabs);
	}

      ierr = VecDuplicate(J,&nb); CHKERRQ(ierr);
      ierr = PetscObjectSetName((PetscObject) nb, "nb"); CHKERRQ(ierr);
      
      ierr = VecDuplicate(J,&y); CHKERRQ(ierr);
      ierr = PetscObjectSetName((PetscObject) y, "y"); CHKERRQ(ierr);
      
      ierr = VecDuplicate(J,&xsqr); CHKERRQ(ierr); // xsqr = x*x;
      ierr = PetscObjectSetName((PetscObject) xsqr, "xsqr"); CHKERRQ(ierr);
      CongMat(PETSC_COMM_WORLD, &C, 6*Nxyz);
}
  /*----------- Define PML muinv vectors  */
 
  Vec muinvpml;
  MuinvPMLFull(PETSC_COMM_SELF, &muinvpml,Nx,Ny,Nz,Npmlx,Npmly,Npmlz,sigmax,sigmay,sigmaz,omega, LowerPML); 

  //double *muinv;
  muinv = (double *) malloc(sizeof(double)*6*Nxyz);
  int add=0;
  AddMuAbsorption(muinv,muinvpml,Qabs,add);
  ierr = VecDestroy(&muinvpml); CHKERRQ(ierr);  

  /*---------- Define PML eps vectors: epspml---------- */  
  Vec epspml; //epspmlQ, epscoef;
  ierr = VecDuplicate(J,&epspml);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) epspml,"EpsPMLFull"); CHKERRQ(ierr);
  EpsPMLFull(PETSC_COMM_WORLD, epspml,Nx,Ny,Nz,Npmlx,Npmly,Npmlz,sigmax,sigmay,sigmaz,omega, LowerPML);

  ierr = VecDuplicate(J,&epspmlQ);CHKERRQ(ierr);


  Vec epscoefone, epscoeftwo;
  ierr = VecDuplicate(J,&epscoefone);CHKERRQ(ierr);
  ierr = VecDuplicate(J,&epscoeftwo);CHKERRQ(ierr);
 
  // compute epspmlQ,epscoef;
  EpsCombine(D, weight, epspml, epspmlQ, epscoefone, Qabs, omegaone);
  EpsCombine(D, weight, epspml, epspmlQ, epscoeftwo, Qabs, omegatwo);
  /*--------- Setup the interp matrix ----------------------- */
  /* for a samll eps block, interp it into yee-lattice. The interp matrix A and PML epspml only need to generated once;*/
  

  //Mat A; 
  //new routine for myinterp;
  myinterp(PETSC_COMM_WORLD, &A, Nx,Ny,Nz, LowerPML*floor((Nx-Mx)/2),LowerPML*floor((Ny-My)/2),LowerPML*floor((Nz-Mz)/2), Mx,My,Mz,Mzslab, anisotropic); // LoweerPML*Npmlx,..,.., specify where the interp starts;  

  //Vec epsSReal, epsgrad, vgrad; // create compatiable vectors with A.
  ierr = MatGetVecs(A,&epsSReal, &epsgrad); CHKERRQ(ierr);  
  ierr = PetscObjectSetName((PetscObject) epsgrad, "epsgrad");CHKERRQ(ierr);
  ierr = VecDuplicate(epsSReal, &vgrad); CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) epsSReal, "epsSReal");CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) vgrad, "vgrad");CHKERRQ(ierr);
  
  /*---------Setup the epsmedium vector----------------*/
  //Vec epsmedium;
  ierr = VecDuplicate(J,&epsmedium); CHKERRQ(ierr);
  GetMediumVec(epsmedium,Nz,Mz,epsair,epssub);
 
  /*--------- Setup the finitie difference matrix-------------*/
  //Mat M;
  MoperatorGeneral(PETSC_COMM_WORLD, &M, Nx,Ny,Nz,hx,hy,hz, bx, by, bz,muinv,BCPeriod);
  free(muinv);

  /*--------Setup the KSP variables ---------------*/
  
  KSP kspone;
  PC pcone; 
  ierr = KSPCreate(PETSC_COMM_WORLD,&kspone);CHKERRQ(ierr);
  //ierr = KSPSetType(ksp, KSPPREONLY);CHKERRQ(ierr);
  ierr = KSPSetType(kspone, KSPGMRES);CHKERRQ(ierr);
  ierr = KSPGetPC(kspone,&pcone);CHKERRQ(ierr);
  ierr = PCSetType(pcone,PCLU);CHKERRQ(ierr);
  ierr = PCFactorSetMatSolverPackage(pcone,MATSOLVERPASTIX);CHKERRQ(ierr);
  ierr = PCSetFromOptions(pcone);
  int maxkspit = 20;
  ierr = KSPSetTolerances(kspone,1e-14,PETSC_DEFAULT,PETSC_DEFAULT,maxkspit);CHKERRQ(ierr);
  ierr = KSPSetFromOptions(kspone);CHKERRQ(ierr);

  KSP ksptwo;
  PC pctwo;
   ierr = KSPCreate(PETSC_COMM_WORLD,&ksptwo);CHKERRQ(ierr);
  //ierr = KSPSetType(ksp, KSPPREONLY);CHKERRQ(ierr);
  ierr = KSPSetType(ksptwo, KSPGMRES);CHKERRQ(ierr);
  ierr = KSPGetPC(ksptwo,&pctwo);CHKERRQ(ierr);
  ierr = PCSetType(pctwo,PCLU);CHKERRQ(ierr);
  ierr = PCFactorSetMatSolverPackage(pctwo,MATSOLVERPASTIX);CHKERRQ(ierr);
  ierr = PCSetFromOptions(pctwo);
  ierr = KSPSetTolerances(ksptwo,1e-14,PETSC_DEFAULT,PETSC_DEFAULT,maxkspit);CHKERRQ(ierr);
  ierr = KSPSetFromOptions(ksptwo);CHKERRQ(ierr);

  /*--------- Create the space for solution vector -------------*/
  //Vec x;
  ierr = VecDuplicate(J,&x);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) x, "Solution");CHKERRQ(ierr); 
  
  /*----------- Create the space for final eps -------------*/

  //Vec epsC, epsCi, epsP;
  ierr = VecDuplicate(J,&epsC);CHKERRQ(ierr);
  ierr = PetscObjectSetName((PetscObject) epsC, "EpsC");CHKERRQ(ierr);
  ierr = VecDuplicate(J,&epsCi);CHKERRQ(ierr);
  ierr = VecDuplicate(J,&epsP);CHKERRQ(ierr);

  ierr = VecSet(epsP,0.0); CHKERRQ(ierr);
  ierr = VecAssemblyBegin(epsP); CHKERRQ(ierr);
  ierr = VecAssemblyEnd(epsP); CHKERRQ(ierr); 

  /*------------ Create space used in the solver ------------*/
  //Vec vgradlocal,tmp, tmpa,tmpb;
  ierr = VecCreateSeq(PETSC_COMM_SELF, DegFree, &vgradlocal); CHKERRQ(ierr);
  ierr = VecDuplicate(J,&tmp); CHKERRQ(ierr);
  ierr = VecDuplicate(J,&tmpa); CHKERRQ(ierr);
  ierr = VecDuplicate(J,&tmpb); CHKERRQ(ierr);
 
  // Vec pickposvec; this vector is zero except that first entry is one;
  if (withepsinldos)
    { ierr = VecDuplicate(J,&pickposvec); CHKERRQ(ierr);
      ierr = VecSet(pickposvec,0.0); CHKERRQ(ierr);
      ierr = VecSetValue(pickposvec,posj+Jdirection*Nxyz,1.0,INSERT_VALUES);
      VecAssemblyBegin(pickposvec);
      VecAssemblyEnd(pickposvec);
    }
  /*------------ Create scatter used in the solver -----------*/
  //VecScatter scatter;
  //IS from, to;
  ierr =ISCreateStride(PETSC_COMM_SELF,DegFree,0,1,&from); CHKERRQ(ierr);
  ierr =ISCreateStride(PETSC_COMM_SELF,DegFree,0,1,&to); CHKERRQ(ierr);

  /*-------------Read the input file -------------------------*/

  double *epsoptAll;
  epsoptAll = (double *) malloc(DegFreeAll*sizeof(double));

  FILE *ptf;
  ptf = fopen(initialdata,"r");
  PetscPrintf(PETSC_COMM_WORLD,"reading from input files \n");

  int i;
  // set the dielectric at the center is fixed, and alwyas high
  //epsopt[0]=myub; is defined below near lb and ub;
  for (i=0;i<DegFree;i++)
    { //PetscPrintf(PETSC_COMM_WORLD,"current eps reading is %lf \n",epsopt[i]);
      fscanf(ptf,"%lf",&epsoptAll[i]);
    }
  epsoptAll[DegFreeAll-1]=0; //initialize auxiliary variable;
  fclose(ptf);



  /*----declare these data types, althought they may not be used for job 2 -----------------*/
 
  double mylb,myub, *lb=NULL, *ub=NULL;
  int maxeval, maxtime, mynloptalg;
  double maxf;
  nlopt_opt  opt;
  nlopt_result result;
  /*--------------------------------------------------------------*/
  /*----Now based on Command Line, Do the corresponding job----*/
  /*----------------------------------------------------------------*/


  //int Job; set Job to be gloabl variables;
  PetscOptionsGetInt(PETSC_NULL,"-Job",&Job,&flg);  MyCheckAndOutputInt(flg,Job,"Job","The Job indicator you set");
  
  int numofvar=(Job==1)*DegFreeAll + (Job==3);

  /*--------   convert the epsopt array to epsSReal (if job!=optmization) --------*/
  if (Job==2 || Job ==3)
    {
      // copy epsilon from file to epsSReal; (different from FindOpt.c, because epsilon is not degree-of-freedoms in computeQ.
      // i) create a array to read file (done above in epsopt); ii) convert the array to epsSReal;
      int ns, ne;
      ierr = VecGetOwnershipRange(epsSReal,&ns,&ne);
      for(i=ns;i<ne;i++)
	{ ierr=VecSetValue(epsSReal,i,epsoptAll[i],INSERT_VALUES); 
	  CHKERRQ(ierr); }      
      if(withepsinldos)
	{ epsatinterest = epsoptAll[cx*Ny*Nz + cy*Nz + cz]  + epsair;
	  PetscPrintf(PETSC_COMM_WORLD, " the relative permitivity at the point of current is %.16e \n ",epsatinterest);}
      ierr = VecAssemblyBegin(epsSReal); CHKERRQ(ierr);
      ierr = VecAssemblyEnd(epsSReal);  CHKERRQ(ierr);
    }

  if (Job==1 || Job==3)  // optimization bounds setup;
    {      
      PetscOptionsGetInt(PETSC_NULL,"-maxeval",&maxeval,&flg);  MyCheckAndOutputInt(flg,maxeval,"maxeval","max number of evaluation");
      PetscOptionsGetInt(PETSC_NULL,"-maxtime",&maxtime,&flg);  MyCheckAndOutputInt(flg,maxtime,"maxtime","max time of evaluation");
      PetscOptionsGetInt(PETSC_NULL,"-mynloptalg",&mynloptalg,&flg);  MyCheckAndOutputInt(flg,mynloptalg,"mynloptalg","The algorithm used ");

      PetscOptionsGetReal(PETSC_NULL,"-mylb",&mylb,&flg);  MyCheckAndOutputDouble(flg,mylb,"mylb","optimization lb");
      PetscOptionsGetReal(PETSC_NULL,"-myub",&myub,&flg);  MyCheckAndOutputDouble(flg,myub,"myub","optimization ub");

      
 
      lb = (double *) malloc(numofvar*sizeof(double));
      ub = (double *) malloc(numofvar*sizeof(double));

      // the dielectric constant at center is fixed!
      for(i=0;i<numofvar;i++)
	{
	  lb[i] = mylb;
	  ub[i] = myub;
	}  //initial guess, lower bounds, upper bounds;

      // set lower and upper bounds for auxiliary variable;
      lb[numofvar-1]=0;
      ub[numofvar-1]=1.0/0.0;

      //fix the dielectric at the center to be high for topology optimization;
      if (Job==1 && fixpteps==1)
	{
	  epsoptAll[0]=myub;
	  lb[0]=myub;
	  ub[0]=myub;
	}



      opt = nlopt_create(mynloptalg, numofvar);
      
      myfundatatypeshg data[2] = {{omegaone, bone, weightedJ, epscoefone,kspone},{omegatwo, btwo, weightedJtwo, epscoeftwo,ksptwo}};

      nlopt_add_inequality_constraint(opt,ldosconstraint, &data[0], 1e-8);
      nlopt_add_inequality_constraint(opt,ldosconstraint, &data[1], 1e-8);

      nlopt_set_lower_bounds(opt,lb);
      nlopt_set_upper_bounds(opt,ub);
      nlopt_set_maxeval(opt,maxeval);
      nlopt_set_maxtime(opt,maxtime);


      /*add functionality to choose local optimizer; */
      int mynloptlocalalg;
      nlopt_opt local_opt;
      PetscOptionsGetInt(PETSC_NULL,"-mynloptlocalalg",&mynloptlocalalg,&flg);  MyCheckAndOutputInt(flg,mynloptlocalalg,"mynloptlocalalg","The local optimization algorithm used ");
      if (mynloptlocalalg)
	{ 
	  local_opt=nlopt_create(mynloptlocalalg,numofvar);
	  nlopt_set_ftol_rel(local_opt, 1e-14);
	  nlopt_set_maxeval(local_opt,100000);
	  nlopt_set_local_optimizer(opt,local_opt);
	}
    }

  switch (Job)
    {
    case 1:
      {
	if (minapproach)
	  nlopt_set_min_objective(opt,maxminobjfun,NULL);// NULL: no data to be passed because of global variables;
	else
	  nlopt_set_max_objective(opt,maxminobjfun,NULL);

	result = nlopt_optimize(opt,epsoptAll,&maxf);
      }      
      break;
    case 2 :  //AnalyzeStructure
      { 
	int Linear, Eig, maxeigit;
	PetscOptionsGetInt(PETSC_NULL,"-Linear",&Linear,&flg);  MyCheckAndOutputInt(flg,Linear,"Linear","Linear solver indicator");
	PetscOptionsGetInt(PETSC_NULL,"-Eig",&Eig,&flg);  MyCheckAndOutputInt(flg,Eig,"Eig","Eig solver indicator");
	PetscOptionsGetInt(PETSC_NULL,"-maxeigit",&maxeigit,&flg);  MyCheckAndOutputInt(flg,maxeigit,"maxeigit","maximum number of Eig solver iterations is");

	/*----------------------------------*/
	//EigenSolver(Linear, Eig, maxeigit);
	/*----------------------------------*/

	OutputVec(PETSC_COMM_WORLD, weight,filenameComm, "weight.m");
      }
      break;   
    default:
      PetscPrintf(PETSC_COMM_WORLD,"--------Interesting! You're doing nothing!--------\n ");
 }


  if(Job==1 || Job==3)
    {
      /* print the optimization parameters */
#if 0
      double xrel, frel, fabs;
      // double *xabs;
      frel=nlopt_get_ftol_rel(opt);
      fabs=nlopt_get_ftol_abs(opt);
      xrel=nlopt_get_xtol_rel(opt);
      PetscPrintf(PETSC_COMM_WORLD,"nlopt frel is %g \n",frel);
      PetscPrintf(PETSC_COMM_WORLD,"nlopt fabs is %g \n",fabs);
      PetscPrintf(PETSC_COMM_WORLD,"nlopt xrel is %g \n",xrel);
      //nlopt_result nlopt_get_xtol_abs(const nlopt_opt opt, double *tol);
#endif
      /*--------------*/

      if (result < 0) {
	PetscPrintf(PETSC_COMM_WORLD,"nlopt failed! \n", result);
      }
      else {
	PetscPrintf(PETSC_COMM_WORLD,"found extremum  %0.16e\n", minapproach?1.0/maxf:maxf); 
      }

      PetscPrintf(PETSC_COMM_WORLD,"nlopt returned value is %d \n", result);


      if(Job==1)
	{ //OutputVec(PETSC_COMM_WORLD, epsopt,filenameComm, "epsopt.m");
	  //OutputVec(PETSC_COMM_WORLD, epsgrad,filenameComm, "epsgrad.m");
	  //OutputVec(PETSC_COMM_WORLD, vgrad,filenameComm, "vgrad.m");
	  //OutputVec(PETSC_COMM_WORLD, x,filenameComm, "x.m");
	  int rankA;
	  MPI_Comm_rank(PETSC_COMM_WORLD, &rankA);

	  if(rankA==0)
	    {
	      ptf = fopen(strcat(filenameComm,"epsopt.txt"),"w");
	      for (i=0;i<DegFree;i++)
		fprintf(ptf,"%0.16e \n",epsoptAll[i]);
	      fclose(ptf);
	      PetscPrintf(PETSC_COMM_WORLD,"the t parameter is %.8e \n",epsoptAll[DegFreeAll-1]);
	    }  
	}

      nlopt_destroy(opt);
    }
     


  ierr = PetscPrintf(PETSC_COMM_WORLD,"--------Done!--------\n ");CHKERRQ(ierr);

  /*------------------------------------*/
 

  /* ----------------------Destroy Vecs and Mats----------------------------*/ 

  free(epsoptAll);
  free(lb);
  free(ub);
  ierr = VecDestroy(&J); CHKERRQ(ierr);
  ierr = VecDestroy(&b); CHKERRQ(ierr);
  ierr = VecDestroy(&weight); CHKERRQ(ierr);
  ierr = VecDestroy(&weightedJ); CHKERRQ(ierr);
  ierr = VecDestroy(&vR); CHKERRQ(ierr);
  ierr = VecDestroy(&epspml); CHKERRQ(ierr);
  ierr = VecDestroy(&epspmlQ); CHKERRQ(ierr);
  ierr = VecDestroy(&epsSReal); CHKERRQ(ierr);
  ierr = VecDestroy(&epsgrad); CHKERRQ(ierr);
  ierr = VecDestroy(&vgrad); CHKERRQ(ierr);  
  ierr = VecDestroy(&epsmedium); CHKERRQ(ierr);
  ierr = VecDestroy(&epsC); CHKERRQ(ierr);
  ierr = VecDestroy(&epsCi); CHKERRQ(ierr);
  ierr = VecDestroy(&epsP); CHKERRQ(ierr);
  ierr = VecDestroy(&x); CHKERRQ(ierr);
  ierr = VecDestroy(&vgradlocal);CHKERRQ(ierr);
  ierr = VecDestroy(&tmp); CHKERRQ(ierr);
  ierr = VecDestroy(&tmpa); CHKERRQ(ierr);
  ierr = VecDestroy(&tmpb); CHKERRQ(ierr);
  ierr = MatDestroy(&A); CHKERRQ(ierr);  
  ierr = MatDestroy(&D); CHKERRQ(ierr);
  ierr = MatDestroy(&M); CHKERRQ(ierr);  
 

  ierr = VecDestroy(&epscoefone); CHKERRQ(ierr);
  ierr = VecDestroy(&epscoeftwo); CHKERRQ(ierr);
  ierr = KSPDestroy(&kspone);CHKERRQ(ierr);
  ierr = KSPDestroy(&ksptwo);CHKERRQ(ierr);

  ISDestroy(&from);
  ISDestroy(&to);

  if (withepsinldos)
    {ierr=VecDestroy(&pickposvec); CHKERRQ(ierr);}

  if (lrzsqr)
    {
      ierr=VecDestroy(&epsFReal); CHKERRQ(ierr);
      ierr=VecDestroy(&xsqr); CHKERRQ(ierr);
      ierr=VecDestroy(&y); CHKERRQ(ierr);
      ierr=VecDestroy(&nb); CHKERRQ(ierr);
      ierr=MatDestroy(&C); CHKERRQ(ierr);
    }

  ierr = VecDestroy(&bone); CHKERRQ(ierr);
  ierr = VecDestroy(&btwo); CHKERRQ(ierr);
  ierr = VecDestroy(&Jtwo); CHKERRQ(ierr);
  

  /*------------ finalize the program -------------*/

  {
    int rank;
    MPI_Comm_rank(PETSC_COMM_WORLD, &rank);
    //if (rank == 0) fgetc(stdin);
    MPI_Barrier(PETSC_COMM_WORLD);
  }
  
  ierr = PetscFinalize(); CHKERRQ(ierr);

  return 0;
}
nlopt_result ccsa_quadratic_minimize(
     unsigned n, nlopt_func f, void *f_data,
     unsigned m, nlopt_constraint *fc,

     nlopt_precond pre, 

     const double *lb, const double *ub, /* bounds */
     double *x, /* in: initial guess, out: minimizer */
     double *minf,
     nlopt_stopping *stop,
     nlopt_opt dual_opt)
{
     nlopt_result ret = NLOPT_SUCCESS;
     double *xcur, rho, *sigma, *dfdx, *dfdx_cur, *xprev, *xprevprev, fcur;
     double *dfcdx, *dfcdx_cur;
     double *fcval, *fcval_cur, *rhoc, *gcval, *y, *dual_lb, *dual_ub;
     double *pre_lb, *pre_ub;
     unsigned i, ifc, j, k = 0;
     dual_data dd;
     int feasible;
     double infeasibility;
     unsigned mfc;
     unsigned no_precond;
     nlopt_opt pre_opt = NULL;

     m = nlopt_count_constraints(mfc = m, fc);
     if (nlopt_get_dimension(dual_opt) != m) return NLOPT_INVALID_ARGS;
     sigma = (double *) malloc(sizeof(double) * (6*n + 2*m*n + m*7));
     if (!sigma) return NLOPT_OUT_OF_MEMORY;
     dfdx = sigma + n;
     dfdx_cur = dfdx + n;
     xcur = dfdx_cur + n;
     xprev = xcur + n;
     xprevprev = xprev + n;
     fcval = xprevprev + n;
     fcval_cur = fcval + m;
     rhoc = fcval_cur + m;
     gcval = rhoc + m;
     dual_lb = gcval + m;
     dual_ub = dual_lb + m;
     y = dual_ub + m;
     dfcdx = y + m;
     dfcdx_cur = dfcdx + m*n;

     dd.n = n;
     dd.x = x;
     dd.lb = lb;
     dd.ub = ub;
     dd.sigma = sigma;
     dd.dfdx = dfdx;
     dd.dfcdx = dfcdx;
     dd.fcval = fcval;
     dd.rhoc = rhoc;
     dd.xcur = xcur;
     dd.gcval = gcval;
     dd.pre = pre; dd.pre_data = f_data;
     dd.prec = NULL; dd.prec_data = NULL;
     dd.scratch = NULL;

     if (m) {
	  dd.prec = (nlopt_precond *) malloc(sizeof(nlopt_precond) * m);
	  dd.prec_data = (void **) malloc(sizeof(void *) * m);
	  if (!dd.prec || !dd.prec_data) {
	       ret = NLOPT_OUT_OF_MEMORY;
	       goto done;
	  }
	  for (i = ifc = 0; ifc < mfc; ++ifc) {
	       unsigned inext = i + fc[ifc].m;
	       for (; i < inext; ++i) {
		    dd.prec[i] = fc[ifc].pre;
		    dd.prec_data[i] = fc[ifc].f_data;
	       }
	  }
     }

     no_precond = pre == NULL;
     if (dd.prec)
	  for (i = 0; i < m; ++i)
	       no_precond = no_precond && dd.prec[i] == NULL;

     if (!no_precond) {
	  dd.scratch = (double*) malloc(sizeof(double) * (4*n));
	  if (!dd.scratch) {
	       free(sigma);
	       return NLOPT_OUT_OF_MEMORY;
	  }
	  pre_lb = dd.scratch + 2*n;
	  pre_ub = pre_lb + n;

	  pre_opt = nlopt_create(nlopt_get_algorithm(dual_opt), n);
	  if (!pre_opt) { ret = NLOPT_FAILURE; goto done; }
	  ret = nlopt_set_min_objective(pre_opt, g0, &dd);
	  if (ret < 0) goto done;
	  ret = nlopt_add_inequality_mconstraint(pre_opt, m, gi, &dd, NULL);
	  if (ret < 0) goto done;
	  ret = nlopt_set_ftol_rel(pre_opt, nlopt_get_ftol_rel(dual_opt));
	  if (ret < 0) goto done;
	  ret = nlopt_set_ftol_abs(pre_opt, nlopt_get_ftol_abs(dual_opt));
	  if (ret < 0) goto done;
	  ret = nlopt_set_maxeval(pre_opt, nlopt_get_maxeval(dual_opt));
	  if (ret < 0) goto done;
     }
     
     for (j = 0; j < n; ++j) {
	  if (nlopt_isinf(ub[j]) || nlopt_isinf(lb[j]))
	       sigma[j] = 1.0; /* arbitrary default */
	  else
	       sigma[j] = 0.5 * (ub[j] - lb[j]);
     }
     rho = 1.0;
     for (i = 0; i < m; ++i) {
	  rhoc[i] = 1.0;
	  dual_lb[i] = y[i] = 0.0;
	  dual_ub[i] = HUGE_VAL;
     }

     dd.fval = fcur = *minf = f(n, x, dfdx, f_data);
     stop->nevals++;
     memcpy(xcur, x, sizeof(double) * n);
     if (nlopt_stop_forced(stop)) { ret = NLOPT_FORCED_STOP; goto done; }

     feasible = 1; infeasibility = 0;
     for (i = ifc = 0; ifc < mfc; ++ifc) {
	  nlopt_eval_constraint(fcval + i, dfcdx + i*n,
				fc + ifc, n, x);
	  i += fc[ifc].m;
	  if (nlopt_stop_forced(stop)) { ret = NLOPT_FORCED_STOP; goto done; }
     }
     for (i = 0; i < m; ++i) {
	  feasible = feasible && fcval[i] <= 0;
	  if (fcval[i] > infeasibility) infeasibility = fcval[i];
     }
     /* For non-feasible initial points, set a finite (large)
	upper-bound on the dual variables.  What this means is that,
	if no feasible solution is found from the dual problem, it
	will minimize the dual objective with the unfeasible
	constraint weighted by 1e40 -- basically, minimizing the
	unfeasible constraint until it becomes feasible or until we at
	least obtain a step towards a feasible point.
	
	Svanberg suggested a different approach in his 1987 paper, basically
	introducing additional penalty variables for unfeasible constraints,
	but this is easier to implement and at least as efficient. */
     if (!feasible)
	  for (i = 0; i < m; ++i) dual_ub[i] = 1e40;

     nlopt_set_min_objective(dual_opt, dual_func, &dd);
     nlopt_set_lower_bounds(dual_opt, dual_lb);
     nlopt_set_upper_bounds(dual_opt, dual_ub);
     nlopt_set_stopval(dual_opt, -HUGE_VAL);
     nlopt_remove_inequality_constraints(dual_opt);
     nlopt_remove_equality_constraints(dual_opt);

     while (1) { /* outer iterations */
	  double fprev = fcur;
	  if (nlopt_stop_forced(stop)) ret = NLOPT_FORCED_STOP;
	  else if (nlopt_stop_evals(stop)) ret = NLOPT_MAXEVAL_REACHED;
	  else if (nlopt_stop_time(stop)) ret = NLOPT_MAXTIME_REACHED;
	  else if (feasible && *minf < stop->minf_max) 
	       ret = NLOPT_MINF_MAX_REACHED;
	  if (ret != NLOPT_SUCCESS) goto done;
	  if (++k > 1) memcpy(xprevprev, xprev, sizeof(double) * n);
	  memcpy(xprev, xcur, sizeof(double) * n);

	  while (1) { /* inner iterations */
	       double min_dual, infeasibility_cur;
	       int feasible_cur, inner_done;
	       unsigned save_verbose;
	       nlopt_result reti;

	       if (no_precond) {
		    /* solve dual problem */
		    dd.rho = rho; dd.count = 0;
		    save_verbose = ccsa_verbose;
		    ccsa_verbose = 0; /* no recursive verbosity */
		    reti = nlopt_optimize_limited(dual_opt, y, &min_dual,
						  0,
						  stop->maxtime 
						  - (nlopt_seconds() 
						     - stop->start));
		    ccsa_verbose = save_verbose;
		    if (reti < 0 || reti == NLOPT_MAXTIME_REACHED) {
			 ret = reti;
			 goto done;
		    }
		    
		    dual_func(m, y, NULL, &dd); /* evaluate final xcur etc. */
	       }
	       else {
		    double pre_min;
		    for (j = 0; j < n; ++j) {
			 pre_lb[j] = MAX(lb[j], x[j] - sigma[j]);
			 pre_ub[j] = MIN(ub[j], x[j] + sigma[j]);
			 xcur[j] = x[j];
		    }
		    nlopt_set_lower_bounds(pre_opt, pre_lb);
		    nlopt_set_upper_bounds(pre_opt, pre_ub);

		    dd.rho = rho; dd.count = 0;
		    save_verbose = ccsa_verbose;
		    ccsa_verbose = 0; /* no recursive verbosity */
		    reti = nlopt_optimize_limited(pre_opt, xcur, &pre_min,
						  0, stop->maxtime
                                                  - (nlopt_seconds()
                                                     - stop->start));
		    ccsa_verbose = save_verbose;
		    if (reti < 0 || reti == NLOPT_MAXTIME_REACHED) {
			 ret = reti;
			 goto done;
		    }

		    /* evaluate final xcur etc */
		    dd.gval = g0(n, xcur, NULL, &dd);
		    gi(m, dd.gcval, n, xcur, NULL, &dd);
	       }

	       if (ccsa_verbose) {
		    printf("CCSA dual converged in %d iters to g=%g:\n",
			   dd.count, dd.gval);
		    for (i = 0; i < MIN(ccsa_verbose, m); ++i)
			 printf("    CCSA y[%d]=%g, gc[%d]=%g\n",
				i, y[i], i, dd.gcval[i]);
	       }

	       fcur = f(n, xcur, dfdx_cur, f_data);
	       stop->nevals++;
	       if (nlopt_stop_forced(stop)) { 
		    ret = NLOPT_FORCED_STOP; goto done; }
	       feasible_cur = 1; infeasibility_cur = 0;
	       inner_done = dd.gval >= fcur;
	       for (i = ifc = 0; ifc < mfc; ++ifc) {
		    nlopt_eval_constraint(fcval_cur + i, dfcdx_cur + i*n,
					  fc + ifc, n, xcur);
		    i += fc[ifc].m;
		    if (nlopt_stop_forced(stop)) { 
			 ret = NLOPT_FORCED_STOP; goto done; }
	       }
	       for (i = ifc = 0; ifc < mfc; ++ifc) {
		    unsigned i0 = i, inext = i + fc[ifc].m;
		    for (; i < inext; ++i) {
			 feasible_cur = feasible_cur 
			      && fcval_cur[i] <= fc[ifc].tol[i-i0];
			 inner_done = inner_done && 
			      (dd.gcval[i] >= fcval_cur[i]);
			 if (fcval_cur[i] > infeasibility_cur)
			      infeasibility_cur = fcval_cur[i];
		    }
	       }

	       if ((fcur < *minf && (inner_done || feasible_cur || !feasible))
		    || (!feasible && infeasibility_cur < infeasibility)) {
		    if (ccsa_verbose && !feasible_cur)
			 printf("CCSA - using infeasible point?\n");
		    dd.fval = *minf = fcur;
		    infeasibility = infeasibility_cur;
		    memcpy(fcval, fcval_cur, sizeof(double)*m);
		    memcpy(x, xcur, sizeof(double)*n);
		    memcpy(dfdx, dfdx_cur, sizeof(double)*n);
		    memcpy(dfcdx, dfcdx_cur, sizeof(double)*n*m);
		    
		    /* once we have reached a feasible solution, the
		       algorithm should never make the solution infeasible
		       again (if inner_done), although the constraints may
		       be violated slightly by rounding errors etc. so we
		       must be a little careful about checking feasibility */
		    if (infeasibility_cur == 0) {
			 if (!feasible) { /* reset upper bounds to infin. */
			      for (i = 0; i < m; ++i) dual_ub[i] = HUGE_VAL;
			      nlopt_set_upper_bounds(dual_opt, dual_ub);
			 }
			 feasible = 1;
		    }

	       }
	       if (nlopt_stop_forced(stop)) ret = NLOPT_FORCED_STOP;
	       else if (nlopt_stop_evals(stop)) ret = NLOPT_MAXEVAL_REACHED;
	       else if (nlopt_stop_time(stop)) ret = NLOPT_MAXTIME_REACHED;
	       else if (feasible && *minf < stop->minf_max) 
		    ret = NLOPT_MINF_MAX_REACHED;
	       if (ret != NLOPT_SUCCESS) goto done;

	       if (inner_done) break;

	       if (fcur > dd.gval)
		    rho = MIN(10*rho, 1.1 * (rho + (fcur-dd.gval) / dd.wval));
	       for (i = 0; i < m; ++i)
		    if (fcval_cur[i] > dd.gcval[i])
			 rhoc[i] = 
			      MIN(10*rhoc[i], 
				  1.1 * (rhoc[i] + (fcval_cur[i]-dd.gcval[i]) 
					 / dd.wval));
	       
	       if (ccsa_verbose)
		    printf("CCSA inner iteration: rho -> %g\n", rho);
	       for (i = 0; i < MIN(ccsa_verbose, m); ++i)
		    printf("                CCSA rhoc[%d] -> %g\n", i,rhoc[i]);
	  }

	  if (nlopt_stop_ftol(stop, fcur, fprev))
	       ret = NLOPT_FTOL_REACHED;
	  if (nlopt_stop_x(stop, xcur, xprev))
	       ret = NLOPT_XTOL_REACHED;
	  if (ret != NLOPT_SUCCESS) goto done;
	       
	  /* update rho and sigma for iteration k+1 */
	  rho = MAX(0.1 * rho, CCSA_RHOMIN);
	  if (ccsa_verbose)
	       printf("CCSA outer iteration: rho -> %g\n", rho);
	  for (i = 0; i < m; ++i)
	       rhoc[i] = MAX(0.1 * rhoc[i], CCSA_RHOMIN);
	  for (i = 0; i < MIN(ccsa_verbose, m); ++i)
	       printf("                 CCSA rhoc[%d] -> %g\n", i, rhoc[i]);
	  if (k > 1) {
	       for (j = 0; j < n; ++j) {
		    double dx2 = (xcur[j]-xprev[j]) * (xprev[j]-xprevprev[j]);
		    double gam = dx2 < 0 ? 0.7 : (dx2 > 0 ? 1.2 : 1);
		    sigma[j] *= gam;
		    if (!nlopt_isinf(ub[j]) && !nlopt_isinf(lb[j])) {
			 sigma[j] = MIN(sigma[j], 10*(ub[j]-lb[j]));
			 /* use a smaller lower bound than Svanberg's
			    0.01*(ub-lb), which seems unnecessarily large */
			 sigma[j] = MAX(sigma[j], 1e-8*(ub[j]-lb[j]));
		    }
	       }
	       for (j = 0; j < MIN(ccsa_verbose, n); ++j)
		    printf("                 CCSA sigma[%d] -> %g\n", 
			   j, sigma[j]);
	  }
     }

 done:
     nlopt_destroy(pre_opt);
     if (dd.scratch) free(dd.scratch);
     if (m) {
	  free(dd.prec_data);
	  free(dd.prec);
     }
     free(sigma);
     return ret;
}