--- trunk/src/brains/SimInfo.cpp 2012/08/31 21:16:10 1793 +++ trunk/src/brains/SimInfo.cpp 2012/09/10 18:38:44 1796 @@ -268,8 +268,9 @@ namespace OpenMD { ndf_local -= nConstraints_; #ifdef IS_MPI - MPI_Allreduce(&ndf_local,&ndf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); - MPI_Allreduce(&nfq_local,&nGlobalFluctuatingCharges_,1, MPI_INT, MPI_SUM, MPI_COMM_WORLD); + MPI::COMM_WORLD.Allreduce(&ndf_local, &ndf_, 1, MPI::INT,MPI::SUM); + MPI::COMM_WORLD.Allreduce(&nfq_local, &nGlobalFluctuatingCharges_, 1, + MPI::INT, MPI::SUM); #else ndf_ = ndf_local; nGlobalFluctuatingCharges_ = nfq_local; @@ -283,7 +284,7 @@ namespace OpenMD { int SimInfo::getFdf() { #ifdef IS_MPI - MPI_Allreduce(&fdf_local,&fdf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); + MPI::COMM_WORLD.Allreduce(&fdf_local, &fdf_, 1, MPI::INT, MPI::SUM); #else fdf_ = fdf_local; #endif @@ -339,7 +340,7 @@ namespace OpenMD { } #ifdef IS_MPI - MPI_Allreduce(&ndfRaw_local,&ndfRaw_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); + MPI::COMM_WORLD.Allreduce(&ndfRaw_local, &ndfRaw_, 1, MPI::INT, MPI::SUM); #else ndfRaw_ = ndfRaw_local; #endif @@ -352,7 +353,8 @@ namespace OpenMD { #ifdef IS_MPI - MPI_Allreduce(&ndfTrans_local,&ndfTrans_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); + MPI::COMM_WORLD.Allreduce(&ndfTrans_local, &ndfTrans_, 1, + MPI::INT, MPI::SUM); #else ndfTrans_ = ndfTrans_local; #endif @@ -1019,8 +1021,8 @@ namespace OpenMD { int SimInfo::getNGlobalConstraints() { int nGlobalConstraints; #ifdef IS_MPI - MPI_Allreduce(&nConstraints_, &nGlobalConstraints, 1, MPI_INT, MPI_SUM, - MPI_COMM_WORLD); + MPI::COMM_WORLD.Allreduce(&nConstraints_, &nGlobalConstraints, 1, + MPI::INT, MPI::SUM); #else nGlobalConstraints = nConstraints_; #endif