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 |
1027 |
|
int SimInfo::getNGlobalConstraints() { |
1028 |
|
int nGlobalConstraints; |
1029 |
|
#ifdef IS_MPI |
1030 |
< |
MPI_Allreduce(&nConstraints_, &nGlobalConstraints, 1, MPI_INT, MPI_SUM, |
1031 |
< |
MPI_COMM_WORLD); |
1030 |
> |
MPI::COMM_WORLD.Allreduce(&nConstraints_, &nGlobalConstraints, 1, |
1031 |
> |
MPI::INT, MPI::SUM); |
1032 |
|
#else |
1033 |
|
nGlobalConstraints = nConstraints_; |
1034 |
|
#endif |