--- trunk/src/brains/SimInfo.cpp 2006/02/01 21:06:43 879 +++ trunk/src/brains/SimInfo.cpp 2006/04/25 02:09:01 945 @@ -84,7 +84,7 @@ namespace oopse { SimInfo::SimInfo(ForceField* ff, Globals* simParams) : forceField_(ff), simParams_(simParams), - ndf_(0), ndfRaw_(0), ndfTrans_(0), nZconstraint_(0), + ndf_(0), fdf_local(0), ndfRaw_(0), ndfTrans_(0), nZconstraint_(0), nGlobalMols_(0), nGlobalAtoms_(0), nGlobalCutoffGroups_(0), nGlobalIntegrableObjects_(0), nGlobalRigidBodies_(0), nAtoms_(0), nBonds_(0), nBends_(0), nTorsions_(0), nRigidBodies_(0), @@ -290,6 +290,15 @@ namespace oopse { } + int SimInfo::getFdf() { +#ifdef IS_MPI + MPI_Allreduce(&fdf_local,&fdf_,1,MPI_INT,MPI_SUM, MPI_COMM_WORLD); +#else + fdf_ = fdf_local; +#endif + return fdf_; + } + void SimInfo::calcNdfRaw() { int ndfRaw_local;