--- branches/development/src/parallel/ForceMatrixDecomposition.cpp 2011/06/13 22:13:12 1581 +++ branches/development/src/parallel/ForceMatrixDecomposition.cpp 2011/06/14 20:41:44 1582 @@ -776,7 +776,7 @@ namespace OpenMD { } // filling interaction blocks with pointers - void ForceMatrixDecomposition::fillInteractionData(InteractionData idat, + void ForceMatrixDecomposition::fillInteractionData(InteractionData &idat, int atom1, int atom2) { #ifdef IS_MPI @@ -862,7 +862,7 @@ namespace OpenMD { } - void ForceMatrixDecomposition::unpackInteractionData(InteractionData idat, int atom1, int atom2) { + void ForceMatrixDecomposition::unpackInteractionData(InteractionData &idat, int atom1, int atom2) { #ifdef IS_MPI pot_row[atom1] += 0.5 * *(idat.pot); pot_col[atom2] += 0.5 * *(idat.pot); @@ -879,7 +879,7 @@ namespace OpenMD { } - void ForceMatrixDecomposition::fillSkipData(InteractionData idat, + void ForceMatrixDecomposition::fillSkipData(InteractionData &idat, int atom1, int atom2) { #ifdef IS_MPI idat.atypes = make_pair( ff_->getAtomType(identsRow[atom1]), @@ -943,14 +943,13 @@ namespace OpenMD { int cellIndex; int nCtot = nCells_.x() * nCells_.y() * nCells_.z(); - cerr << "flag1\n"; #ifdef IS_MPI cellListRow_.resize(nCtot); cellListCol_.resize(nCtot); #else cellList_.resize(nCtot); #endif - cerr << "flag2\n"; + #ifdef IS_MPI for (int i = 0; i < nGroupsInRow_; i++) { rs = cgRowData.position[i];