--- trunk/OOPSE/libmdtools/DUFF.cpp 2004/01/13 23:01:43 941 +++ trunk/OOPSE/libmdtools/DUFF.cpp 2004/01/16 15:01:14 950 @@ -477,7 +477,7 @@ DUFF::DUFF(){ // Init the atomStruct mpi type atomStruct atomProto; // mpiPrototype - int atomBC[3] = {15,11,4}; // block counts + int atomBC[3] = {15,12,5}; // block counts MPI_Aint atomDspls[3]; // displacements MPI_Datatype atomMbrTypes[3]; // member mpi types @@ -730,8 +730,6 @@ void DUFF::readParams( void ){ currentAtomType = headAtomType->next; //skip the first element who is a place holder. while( currentAtomType != NULL ){ currentAtomType->duplicate( atomInfo ); - - sendFrcStruct( &atomInfo, mpiAtomStructType ); @@ -750,15 +748,13 @@ void DUFF::readParams( void ){ else{ // listen for node 0 to send out the force params - + MPIcheckPoint(); headAtomType = new LinkedAtomType; recieveFrcStruct( &atomInfo, mpiAtomStructType ); while( !atomInfo.last ){ - - headAtomType->add( atomInfo );