diff --git a/src/core/Atoms.cpp b/src/core/Atoms.cpp index f4777d2a60ba80e7622be50847566243a675186d..80afd2709cbd2898f15b17904ae177421046095e 100644 --- a/src/core/Atoms.cpp +++ b/src/core/Atoms.cpp @@ -339,6 +339,11 @@ void Atoms::setAtomsNlocal(int n){ gatindex.resize(n); if(dd){ dd.g2l.resize(natoms,-1); +// Since these vectors are sent with MPI by using e.g. +// &dd.positionsToBeSent[0] +// we make sure they are non-zero-sized so as to +// avoid errors when doing boundary check + if(n==0) n++; dd.positionsToBeSent.resize(n*5,0.0); dd.positionsToBeReceived.resize(natoms*5,0.0); dd.indexToBeSent.resize(n,0);