| 268 | 
  | 
    ndf_local -= nConstraints_; | 
| 269 | 
  | 
 | 
| 270 | 
  | 
#ifdef IS_MPI | 
| 271 | 
< | 
    MPI_Allreduce(&ndf_local,&ndf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); | 
| 272 | 
< | 
    MPI_Allreduce(&nfq_local,&nGlobalFluctuatingCharges_,1, MPI_INT, MPI_SUM, MPI_COMM_WORLD); | 
| 271 | 
> | 
    MPI::COMM_WORLD.Allreduce(&ndf_local, &ndf_, 1, MPI::INT,MPI::SUM); | 
| 272 | 
> | 
    MPI::COMM_WORLD.Allreduce(&nfq_local, &nGlobalFluctuatingCharges_, 1, | 
| 273 | 
> | 
                              MPI::INT, MPI::SUM); | 
| 274 | 
  | 
#else | 
| 275 | 
  | 
    ndf_ = ndf_local; | 
| 276 | 
  | 
    nGlobalFluctuatingCharges_ = nfq_local; | 
| 284 | 
  | 
 | 
| 285 | 
  | 
  int SimInfo::getFdf() { | 
| 286 | 
  | 
#ifdef IS_MPI | 
| 287 | 
< | 
    MPI_Allreduce(&fdf_local,&fdf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); | 
| 287 | 
> | 
    MPI::COMM_WORLD.Allreduce(&fdf_local, &fdf_, 1, MPI::INT, MPI::SUM); | 
| 288 | 
  | 
#else | 
| 289 | 
  | 
    fdf_ = fdf_local; | 
| 290 | 
  | 
#endif | 
| 340 | 
  | 
    } | 
| 341 | 
  | 
     | 
| 342 | 
  | 
#ifdef IS_MPI | 
| 343 | 
< | 
    MPI_Allreduce(&ndfRaw_local,&ndfRaw_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); | 
| 343 | 
> | 
    MPI::COMM_WORLD.Allreduce(&ndfRaw_local, &ndfRaw_, 1, MPI::INT, MPI::SUM); | 
| 344 | 
  | 
#else | 
| 345 | 
  | 
    ndfRaw_ = ndfRaw_local; | 
| 346 | 
  | 
#endif | 
| 353 | 
  | 
 | 
| 354 | 
  | 
 | 
| 355 | 
  | 
#ifdef IS_MPI | 
| 356 | 
< | 
    MPI_Allreduce(&ndfTrans_local,&ndfTrans_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); | 
| 356 | 
> | 
    MPI::COMM_WORLD.Allreduce(&ndfTrans_local, &ndfTrans_, 1,  | 
| 357 | 
> | 
                              MPI::INT, MPI::SUM); | 
| 358 | 
  | 
#else | 
| 359 | 
  | 
    ndfTrans_ = ndfTrans_local; | 
| 360 | 
  | 
#endif | 
| 1021 | 
  | 
  int SimInfo::getNGlobalConstraints() { | 
| 1022 | 
  | 
    int nGlobalConstraints; | 
| 1023 | 
  | 
#ifdef IS_MPI | 
| 1024 | 
< | 
    MPI_Allreduce(&nConstraints_, &nGlobalConstraints, 1, MPI_INT, MPI_SUM, | 
| 1025 | 
< | 
                  MPI_COMM_WORLD);     | 
| 1024 | 
> | 
    MPI::COMM_WORLD.Allreduce(&nConstraints_, &nGlobalConstraints, 1,  | 
| 1025 | 
> | 
                              MPI::INT, MPI::SUM); | 
| 1026 | 
  | 
#else | 
| 1027 | 
  | 
    nGlobalConstraints =  nConstraints_; | 
| 1028 | 
  | 
#endif |